Table of contents for issues of Computer Physics Communications

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Volume 120, Number 2--3, August, 1999
Volume 180, Number 1, January, 2009
Volume 180, Number 10, October, 2009
Volume 180, Number 11, November, 2009
Volume 181, Number 1, January, 2010
Volume 181, Number 2, February, 2010
Volume 181, Number 3, March, 2010
Volume 181, Number 4, April, 2010
Volume 181, Number 5, May, 2010
Volume 181, Number 6, June, 2010
Volume 181, Number 7, July, 2010
Volume 181, Number 8, August, 2010
Volume 181, Number 9, September, 2010
Volume 181, Number 10, October, 2010
Volume 181, Number 11, November, 2010
Volume 181, Number 12, December, 2010
Volume 182, Number 1, January, 2011
Volume 182, Number 2, February, 2011
Volume 182, Number 3, March, 2011
Volume 182, Number 4, April, 2011
Volume 182, Number 5, May, 2011
Volume 182, Number 6, June, 2011
Volume 182, Number 7, July, 2011
Volume 182, Number 8, August, 2011
Volume 182, Number 9, September, 2011
Volume 182, Number 10, October, 2011
Volume 182, Number 11, November, 2011
Volume 182, Number 12, December, 2011
Volume 183, Number 1, January, 2012
Volume 183, Number 2, February, 2012
Volume 183, Number 3, March, 2012
Volume 183, Number 4, April, 2012
Volume 183, Number 5, May, 2012
Volume 183, Number 6, June, 2012
Volume 183, Number 7, July, 2012
Volume 183, Number 8, August, 2012
Volume 183, Number 9, September, 2012
Volume 183, Number 10, October, 2012
Volume 183, Number 11, November, 2012
Volume 183, Number 12, December, 2012
Volume 184, Number 1, January, 2013
Volume 184, Number 2, February, 2013
Volume 184, Number 3, March, 2013
Volume 184, Number 4, April, 2013
Volume 184, Number 5, May, 2013
Volume 184, Number 6, June, 2013
Volume 184, Number 7, July, 2013
Volume 184, Number 8, August, 2013
Volume 184, Number 9, September, 2013
Volume 184, Number 10, October, 2013
Volume 184, Number 11, November, 2013
Volume 184, Number 12, December, 2013
Volume 185, Number 1, January, 2014
Volume 185, Number 2, February, 2014
Volume 185, Number 3, March, 2014
Volume 185, Number 4, April, 2014
Volume 185, Number 5, May, 2014
Volume 185, Number 6, June, 2014
Volume 185, Number 7, July, 2014
Volume 185, Number 8, August, 2014
Volume 185, Number 9, September, 2014
Volume 185, Number 10, October, 2014
Volume 185, Number 11, November, 2014
Volume 185, Number 12, December, 2014
Volume 186, Number ??, January, 2015
Volume 187, Number ??, February, 2015
Volume 188, Number ??, March, 2015
Volume 189, Number ??, April, 2015
Volume 190, Number ??, May, 2015
Volume 191, Number ??, June, 2015
Volume 192, Number ??, July, 2015
Volume 193, Number ??, August, 2015
Volume 194, Number ??, September, 2015
Volume 195, Number ??, October, 2015
Volume 196, Number ??, November, 2015
Volume 197, Number ??, December, 2015
Volume 198, Number ??, January, 2016
Volume 199, Number ??, February, 2016
Volume 200, Number ??, March, 2016
Volume 201, Number ??, April, 2016
Volume 202, Number ??, May, 2016
Volume 203, Number ??, June, 2016
Volume 204, Number ??, July, 2016
Volume 205, Number ??, August, 2016
Volume 206, Number ??, September, 2016
Volume 207, Number ??, October, 2016
Volume 208, Number ??, November, 2016
Volume 209, Number ??, December, 2016
Volume 210, Number ??, January, 2017
Volume 211, Number ??, February, 2017
Volume 212, Number ??, March, 2017
Volume 213, Number ??, April, 2017
Volume 214, Number ??, May, 2017
Volume 215, Number ??, June, 2017
Volume 216, Number ??, July, 2017
Volume 217, Number ??, August, 2017
Volume 218, Number ??, September, 2017
Volume 219, Number ??, October, 2017
Volume 220, Number ??, November, 2017
Volume 221, Number ??, December, 2017
Volume 222, Number ??, January, 2018
Volume 223, Number ??, February, 2018
Volume 224, Number ??, March, 2018
Volume 225, Number ??, April, 2018
Volume 226, Number ??, May, 2018
Volume 227, Number ??, June, 2018
Volume 228, Number ??, July, 2018
Volume 229, Number ??, August, 2018
Volume 230, Number ??, September, 2018
Volume 231, Number ??, October, 2018
Volume 232, Number ??, November, 2018
Volume 233, Number ??, December, 2018
Volume 234, Number ??, January, 2019
Volume 235, Number ??, February, 2019
Volume 95, Number 4, April, 2013


Computer Physics Communications
Volume 120, Number 2--3, August, 1999

                    Liqiang Wei   Unified approach for exact calculation
                                  of angular momentum coupling and
                                  recoupling coefficients  . . . . . . . . 222--230


Computer Physics Communications
Volume 180, Number 1, January, 2009

                  Hong Wei Yang   A FDTD analysis on magnetized plasma of
                                  Epstein distribution and reflection
                                  calculation  . . . . . . . . . . . . . . 55--60

Computer Physics Communications
Volume 180, Number 10, October, 2009

                Hongli Yang and   
                 Xinyuan Wu and   
                  Xiong You and   
                   Yonglei Fang   Extended RKN-type methods for numerical
                                  integration of perturbed oscillators . . 1777--1794

Computer Physics Communications
Volume 180, Number 11, November, 2009

                  M. M. Rashidi   The modified differential transform
                                  method for solving MHD boundary-layer
                                  equations  . . . . . . . . . . . . . . . 2210--2217
                        S. Nath   TERS v2.0: An improved version of TERS   2392--2393


Computer Physics Communications
Volume 181, Number 1, January, 2010

            Vineet K. Singh and   
           Rajesh K. Pandey and   
                  Saurabh Singh   A stable algorithm for Hankel transforms
                                  using hybrid of Block-pulse and Legendre
                                  polynomials  . . . . . . . . . . . . . . 1--10
                 Weiwei Cai and   
                         Lin Ma   Applications of critical temperature in
                                  minimizing functions of continuous
                                  variables with simulated annealing
                                  algorithm  . . . . . . . . . . . . . . . 11--16
              N. Mohankumar and   
                     S. Sen and   
                       R. Ramar   On the evaluation of correction terms in
                                  Gauss--Legendre quadrature . . . . . . . 17--20
                   M. Amaku and   
           P. R. Pascholati and   
                    V. R. Vanin   Decay chain differential equations:
                                  Solution through matrix algebra  . . . . 21--23
               M. Aldegunde and   
             Natalia Seoane and   
A. J. García-Loureiro and   
                       K. Kalna   Reduction of the self-forces in Monte
                                  Carlo simulations of semiconductor
                                  devices on unstructured meshes . . . . . 24--34
          M. Zacarés and   
M. Arevalillo-Herráez and   
                     S. Abraham   A group-theory method to find stationary
                                  states in nonlinear discrete symmetry
                                  systems  . . . . . . . . . . . . . . . . 35--42
              Mehdi Dehghan and   
                  Ameneh Taleei   A compact split-step finite difference
                                  method for solving the nonlinear
                                  Schrödinger equations with constant and
                                  variable coefficients  . . . . . . . . . 43--51
               Liming Zhang and   
                   Ali Deng and   
              Minghong Wang and   
                  Shaoqing Yang   Numerical study of a novel MFIE
                                  formulation using monopolar RWG basis
                                  functions  . . . . . . . . . . . . . . . 52--60
                H. Frerichs and   
                  D. Reiter and   
                    Y. Feng and   
                     D. Harting   Block-structured grids in Lagrangian
                                  $3$D edge plasma transport simulations   61--70
                Robert C. Tautz   A new simulation code for particle
                                  diffusion in anisotropic, large-scale
                                  and turbulent magnetic fields  . . . . . 71--77
              J. Rashidinia and   
                   R. Mohammadi   Tension spline approach for the
                                  numerical solution of nonlinear
                                  Klein--Gordon equation . . . . . . . . . 78--91
              J. L. Movilla and   
             J. I. Climente and   
                   J. Planelles   Dielectric polarization in
                                  axially-symmetric nanostructures: a
                                  computational approach . . . . . . . . . 92--98
               Jae-Suk Yang and   
                   Wooseop Kwak   Application of Wang--Landau sampling to
                                  a protein model using SMMP . . . . . . . 99--104
      F. Molnár, Jr. and   
          T. Szakály and   
  R. Mészáros and   
                       I. Lagzi   Air pollution modelling using a Graphics
                                  Processing Unit with CUDA  . . . . . . . 105--112
                 T. Sakurai and   
                  H. Tadano and   
                   Y. Kuramashi   Application of block Krylov subspace
                                  algorithms to the Wilson--Dirac equation
                                  with multiple right-hand sides in
                                  lattice QCD  . . . . . . . . . . . . . . 113--117
      Anna Ma\'nka-Kraso\'n and   
             Advera Mwijage and   
           Krzysztof Kulakowski   Clustering in random line graphs . . . . 118--121
                M. ElKacimi and   
                D. Goujdami and   
            H. Przysiezniak and   
                      P. Skands   One universal extra dimension in Pythia  122--127
                   D. Conte and   
                E. Esposito and   
             B. Paternoster and   
                   L. Gr. Ixaru   Some new uses of the $ \eta m ({Z}) $
                                  functions  . . . . . . . . . . . . . . . 128--137
                 P. Bechtle and   
                   O. Brein and   
              S. Heinemeyer and   
                G. Weiglein and   
                 K. E. Williams   HiggsBounds: Confronting arbitrary Higgs
                                  sectors with exclusion bounds from LEP
                                  and the Tevatron . . . . . . . . . . . . 138--167
             I. I. Gontchar and   
             M. V. Chushnyakova   A C-code for the double folding
                                  interaction potential of two spherical
                                  nuclei . . . . . . . . . . . . . . . . . 168--182
             M. Januszewski and   
                      M. Kostur   Accelerating numerical solution of
                                  stochastic differential equations with
                                  CUDA . . . . . . . . . . . . . . . . . . 183--188
             David Eriksson and   
             Johan Rathsman and   
               Oscar Stål   2HDMC --- two-Higgs-doublet model
                                  calculator . . . . . . . . . . . . . . . 189--205
          Evgeny Z. Liverts and   
                     Nir Barnea   The two-electron atomic systems.
                                  $S$-states . . . . . . . . . . . . . . . 206--212
              Guy Engelhard and   
           Jonathan L. Feng and   
                Iftah Galon and   
              David Sanford and   
                       Felix Yu   SPICE: Simulation Package for Including
                                  Flavor in Collider Events  . . . . . . . 213--226
            Mattias Blennow and   
     Enrique Fernandez-Martinez   Neutrino oscillation parameter sampling
                                  with MonteCUBES  . . . . . . . . . . . . 227--231
             B. C. Allanach and   
                 M. A. Bernhard   Including $R$-parity violation in the
                                  numerical computation of the spectrum of
                                  the Minimal Supersymmetric Standard
                                  Model: SOFTSUSY3.0 . . . . . . . . . . . 232--245
                      Anonymous   Computer Physics Communications --- List
                                  of Editors . . . . . . . . . . . . . . . iv--vi
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 181, Number 2, February, 2010

               Thomas Unfer and   
          Jean-Pierre Boeuf and   
     François Rogier and   
  Frédéric Thivet   Multi-scale gas discharge simulations
                                  using asynchronous adaptive mesh
                                  refinement . . . . . . . . . . . . . . . 247--258
            Andrea Saltelli and   
               Paola Annoni and   
               Ivano Azzini and   
       Francesca Campolongo and   
                Marco Ratto and   
              Stefano Tarantola   Variance based sensitivity analysis of
                                  model output. Design and estimator for
                                  the total sensitivity index  . . . . . . 259--270
                   Liang Li and   
             Ting-Zhu Huang and   
               Yan-Fei Jing and   
                     Yong Zhang   Application of the incomplete Cholesky
                                  factorization preconditioned Krylov
                                  subspace method to the vector finite
                                  element method for $3$-D electromagnetic
                                  scattering problems  . . . . . . . . . . 271--276
            Masayuki Toyoda and   
                  Taisuke Ozaki   Fast spherical Bessel transform via fast
                                  Fourier transform and recurrence formula 277--282
    Eladio Gutiérrez and   
              Sergio Romero and   
     María A. Trenas and   
               Emilio L. Zapata   Quantum computer simulation using the
                                  CUDA programming model . . . . . . . . . 283--300
                    Duo Sun and   
                  Rui Jiang and   
                 Bing-Hong Wang   Timing of traffic lights and phase
                                  separation in two-dimensional traffic
                                  flow . . . . . . . . . . . . . . . . . . 301--304
                 A. Andonov and   
                 A. Arbuzov and   
                  D. Bardin and   
              S. Bondarenko and   
               P. Christova and   
            L. Kalinovskaya and   
              V. Kolesnikov and   
                     R. Sadykov   Standard SANC modules  . . . . . . . . . 305--312
                       Ji Qiang   A high-order fast method for computing
                                  convolution integral with smooth kernel  313--316
                  Cheng-shi Liu   Applications of complete discrimination
                                  system for polynomial for
                                  classifications of traveling wave
                                  solutions to nonlinear differential
                                  equations  . . . . . . . . . . . . . . . 317--324
                   Hanquan Wang   An efficient Chebyshev--Tau spectral
                                  method for Ginzburg--Landau--Schrödinger
                                  equations  . . . . . . . . . . . . . . . 325--340
            David W. Holmes and   
           John R. Williams and   
                    Peter Tilke   An events based algorithm for
                                  distributing concurrent tasks on
                                  multi-core architectures . . . . . . . . 341--354
            Marco D. Mazzeo and   
               Steven Manos and   
               Peter V. Coveney   In situ ray tracing and computational
                                  steering for interactive blood flow
                                  simulation . . . . . . . . . . . . . . . 355--370
            Predrag Lazi\'c and   
         Nicolae Atodiresei and   
              Mojtaba Alaei and   
              Vasile Caciuc and   
         Stefan Blügel and   
                  Radovan Brako   JuNoLo --- Jülich nonlocal code for
                                  parallel post-processing evaluation of
                                  vdW--DF correlation energy . . . . . . . 371--379
       Matías Tueros and   
                 Sergio Sciutto   TIERRAS: a package to simulate high
                                  energy cosmic ray showers underground,
                                  underwater and under-ice . . . . . . . . 380--392
                  S. Jadach and   
                 W. Placzek and   
                M. Skrzypek and   
                    P. Stoklosa   Markovian Monte Carlo program EvolFMC
                                  v.2 for solving QCD evolution equations  393--412
         Thomas Müller and   
                    Frank Grave   GeodesicViewer --- a tool for exploring
                                  geodesics in the theory of relativity    413--419
                D. Germanas and   
          R. K. Kalinauskas and   
                 S. Mickevicius   Calculation of four-particle
                                  harmonic-oscillator transformation
                                  brackets . . . . . . . . . . . . . . . . 420--425
                  A. Borgoo and   
                  O. Scharf and   
                G. Gaigalas and   
                   M. Godefroid   Multiconfiguration electron density
                                  function for the ATSP2K-package  . . . . 426--439
                  T. Radtke and   
                   S. Fritzsche   Simulation of $n$-qubit quantum systems.
                                  V. Quantum measurements  . . . . . . . . 440--453
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 181, Number 3, March, 2010

             Xiao-Gang Wang and   
         Tucker Carrington, Jr.   Parallel methods for high-dimensional
                                  quantum dynamics . . . . . . . . . . . . 455--461
          Simone Melchionna and   
          Massimo Bernaschi and   
                Sauro Succi and   
          Efthimios Kaxiras and   
           Frank J. Rybicki and   
         Dimitris Mitsouras and   
            Ahmet U. Coskun and   
             Charles L. Feldman   Hydrokinetic approach to large-scale
                                  cardiovascular blood flow  . . . . . . . 462--472
            Zhen-Ting Huang and   
              Huan-Chun Hsu and   
            Chau-Lyan Chang and   
               Chin-Tien Wu and   
                    T. F. Jiang   Momentum-time flux conservation method
                                  for one-dimensional wave equations . . . 473--480
                 Sitao Ling and   
               Minghui Wang and   
                    Musheng Wei   Hermitian tridiagonal solution with the
                                  least norm to quaternionic least squares
                                  problem  . . . . . . . . . . . . . . . . 481--488
                     Leo Brewin   A brief introduction to Cadabra: a tool
                                  for tensor computations in General
                                  Relativity . . . . . . . . . . . . . . . 489--498
        Marco Hülsmann and   
   Thorsten Köddermann and   
              Jadran Vrabec and   
                     Dirk Reith   GROW: a gradient-based optimization
                                  workflow for the automated development
                                  of molecular models  . . . . . . . . . . 499--513
                       P. Kirby   Calculation of radial prolate spheroidal
                                  wave functions of the second kind  . . . 514--519
             Tadeusz Wegner and   
                 Andrzej Peczak   Implementation of a strain energy-based
                                  nonlinear finite element in the
                                  object-oriented environment  . . . . . . 520--531
                 M. Antuono and   
              A. Colagrossi and   
                 S. Marrone and   
                     D. Molteni   Free-surface flows solved by means of
                                  SPH schemes with numerical diffusive
                                  terms  . . . . . . . . . . . . . . . . . 532--549
               Jian-You Guo and   
                    Miao Yu and   
                  Jing Wang and   
                Bao-Mei Yao and   
                      Peng Jiao   A relativistic extension of the complex
                                  scaling method using oscillator basis
                                  functions  . . . . . . . . . . . . . . . 550--556
                  Wei Jiang and   
                   Yingzhen Lin   Approximate solution of the fractional
                                  advection-dispersion equation  . . . . . 557--561
               O. T. Kosmas and   
                  D. S. Vlachos   Phase-fitted discrete Lagrangian
                                  integrators  . . . . . . . . . . . . . . 562--568
               M. D. Mazzeo and   
                   M. Ricci and   
                     C. Zannoni   The Linked Neighbour List (LNL) method
                                  for fast off-lattice Monte Carlo
                                  simulations of fluids  . . . . . . . . . 569--581
           J. Blümlein and   
           D. J. Broadhurst and   
            J. A. M. Vermaseren   The Multiple Zeta Value data mine  . . . 582--625
             Emmanuel Lorin and   
                 A. D. Bandrauk   Multiresolution scheme for
                                  Time-Dependent Schrödinger Equation . . . 626--638
               Yonglei Fang and   
                Qinghe Ming and   
                     Xinyuan Wu   Extended RKN-type methods with minimal
                                  dispersion error for perturbed
                                  oscillators  . . . . . . . . . . . . . . 639--650
               Moritz Riede and   
             Rico Schueppel and   
 Kristian O. Sylvester-Hvid and   
          Martin Kühne and   
    Michael C. Röttger and   
           Klaus Zimmermann and   
               Andreas W. Liehr   On the communication of scientific data:
                                  The Full-Metadata Format . . . . . . . . 651--662
          Miglena N. Koleva and   
                Lubin G. Vulkov   Two-grid quasilinearization approach to
                                  ODEs with applications to model problems
                                  in physics and mechanics . . . . . . . . 663--670
                      R. Yu and   
                     J. Zhu and   
                       H. Q. Ye   Calculations of single-crystal elastic
                                  constants made simple  . . . . . . . . . 671--675
             T. C. Petersen and   
                   S. P. Ringer   An electron tomography algorithm for
                                  reconstructing $3$D morphology using
                                  surface tangents of projected scattering
                                  interfaces . . . . . . . . . . . . . . . 676--682
                J. Lundberg and   
                  J. Conrad and   
                   W. Rolke and   
                       A. Lopez   Limits, discovery and cut optimization
                                  for a Poisson process with uncertainty
                                  in background and signal efficiency:
                                  TRolke 2.0 . . . . . . . . . . . . . . . 683--686
          Ardavan F. Oskooi and   
               David Roundy and   
             Mihai Ibanescu and   
               Peter Bermel and   
         J. D. Joannopoulos and   
              Steven G. Johnson   Meep: a flexible free-software package
                                  for electromagnetic simulations by the
                                  FDTD method  . . . . . . . . . . . . . . 687--702
         Thomas Müller and   
                    Frank Grave   An updated version of the
                                  Motion4D-library . . . . . . . . . . . . 703--703
                 Jaromir Tosiek   The Fedosov $ \star $-product in
                                  Mathematica  . . . . . . . . . . . . . . 704--704
               G. M. von Hippel   TaylUR 3, a multivariate arbitrary-order
                                  automatic differentiation package for
                                  Fortran 95 . . . . . . . . . . . . . . . 705--706
                Andrzej Daniluk   Model-Driven Development for scientific
                                  computing. Computations of RHEED
                                  intensities for a disordered surface.
                                  Part I . . . . . . . . . . . . . . . . . 707--708
                Andrzej Daniluk   Model-Driven Development for scientific
                                  computing. Computations of RHEED
                                  intensities for a disordered surface.
                                  Part II  . . . . . . . . . . . . . . . . 709--710
             Sean McConnell and   
          Stephan Fritzsche and   
               Andrey Surzhykov   DIRAC: a new version of computer algebra
                                  tools for studying the properties and
                                  behavior of hydrogen-like ions . . . . . 711--713
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 181, Number 4, April, 2010

             B. F. McMillan and   
                 S. Jolliet and   
                 A. Bottino and   
                P. Angelino and   
                 T. M. Tran and   
                     L. Villard   Rapid Fourier space solution of linear
                                  partial integro-differential equations
                                  in toroidal magnetic confinement
                                  geometries . . . . . . . . . . . . . . . 715--719
               Nobuaki Ohno and   
                 Akira Kageyama   Region-of-interest visualization by CAVE
                                  VR system with automatic control of
                                  level-of-detail  . . . . . . . . . . . . 720--725
                     Wei Su and   
                  Ping Qian and   
                   Ying Liu and   
                 Jiang Shen and   
                  Nan-Xian Chen   First principle calculations of
                                  yttrium-doped palladium clusters . . . . 726--731
         Grégory Geneste   Free energies of ferroelectric crystals
                                  from a microscopic approach  . . . . . . 732--745
          Björn Oetzel and   
        Friedhelm Bechstedt and   
              Karsten Hannewald   Finite-size modelling of electrodes for
                                  quantum transport calculations using
                                  $k$-space ab initio techniques . . . . . 746--749
            Joana G. Freire and   
             Owen J. Brison and   
             Jason A. C. Gallas   Complete sets of initial vectors for
                                  pattern growth with elementary cellular
                                  automata . . . . . . . . . . . . . . . . 750--755
             Mathias Wagner and   
             Andrea Walther and   
          Bernd-Jochen Schaefer   On the efficient computation of
                                  high-order derivatives for implicitly
                                  defined functions  . . . . . . . . . . . 756--764
           Oliver Marquardt and   
               Sixten Boeck and   
        Christoph Freysoldt and   
             Tilmann Hickel and   
           Jörg Neugebauer   Plane-wave implementation of the
                                  real-space $ k \cdot p $ formalism and
                                  continuum elasticity theory  . . . . . . 765--771
              Mehdi Dehghan and   
                Arezou Ghesmati   Numerical simulation of two-dimensional
                                  sine--Gordon solitons via a local weak
                                  meshless technique based on the radial
                                  point interpolation method (RPIM)  . . . 772--786
                 Shaozhong Deng   A robust numerical method for
                                  self-polarization energy of spherical
                                  quantum dots with finite confinement
                                  barriers . . . . . . . . . . . . . . . . 787--799
               Daniel Reith and   
                   Peter Virnau   Implementation and performance analysis
                                  of bridging Monte Carlo moves for
                                  off-lattice single chain polymers in
                                  globular states  . . . . . . . . . . . . 800--805
                   T. Kunze and   
                 S. Gemming and   
                S. Numazawa and   
                   M. Schreiber   Low-temperature modeling for degenerate
                                  and frustrated Heisenberg systems with
                                  anisotropy . . . . . . . . . . . . . . . 806--812
             M. F. Ciappina and   
                T. Kirchner and   
                      M. Schulz   Monte Carlo event generators in atomic
                                  collisions: a new tool to tackle the
                                  few-body dynamics  . . . . . . . . . . . 813--820
                 Priya Sony and   
                    Alok Shukla   A general purpose Fortran 90 electronic
                                  structure program for conjugated systems
                                  using Pariser--Parr--Pople model . . . . 821--830
               I. V. Grossu and   
                   D. Felea and   
                  C. Besliu and   
                   Al. Jipa and   
            C. C. Bordeianu and   
                    E. Stan and   
                       T. Esanu   A new version of Visual [Basic] tool for
                                  estimating the fractal dimension of
                                  images . . . . . . . . . . . . . . . . . 831--832
             David Eriksson and   
             Johan Rathsman and   
               Oscar Stål   2HDMC --- two-Higgs-doublet model
                                  calculator . . . . . . . . . . . . . . . 833--834
                M. Bazzotti and   
               G. Carminati and   
               A. Margiotta and   
                      M. Spurio   An update of the generator of
                                  atmospheric muons from parametric
                                  formulas (MUPAGE)  . . . . . . . . . . . 835--836
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 181, Number 5, May, 2010

                E. T. Meier and   
                V. S. Lukin and   
                     U. Shumlak   Spectral element spatial discretization
                                  error in solving highly anisotropic heat
                                  conduction equation  . . . . . . . . . . 837--841
              N. Mohankumar and   
                   A. Natarajan   On an interesting variant of the IMT
                                  quadrature . . . . . . . . . . . . . . . 842--847
                   Bongsoo Jang   Solving linear and nonlinear initial
                                  value problems by the projected
                                  differential transform method  . . . . . 848--854
              Ivan Duchemin and   
           François Gygi   A scalable and accurate algorithm for
                                  the computation of Hartree--Fock
                                  exchange . . . . . . . . . . . . . . . . 855--860
               Zhen F. Tian and   
                       P. X. Yu   High-order compact ADI (HOC--ADI) method
                                  for solving unsteady $2$D Schrödinger
                                  equation . . . . . . . . . . . . . . . . 861--868
          Samuel F. Martins and   
         Ricardo A. Fonseca and   
       Luís O. Silva and   
                     Wei Lu and   
                 Warren B. Mori   Numerical simulations of laser wakefield
                                  accelerators in optimal Lorentz frames   869--875
              S. M. Abrarov and   
                B. M. Quine and   
                   R. K. Jagpal   High-accuracy approximation of the
                                  complex probability function by Fourier
                                  expansion of exponential multiplier  . . 876--882
                  H. Tadano and   
               Y. Kuramashi and   
                     T. Sakurai   Application of preconditioned block
                                  BiCGGR to the Wilson--Dirac equation
                                  with multiple right-hand sides in
                                  lattice QCD  . . . . . . . . . . . . . . 883--886
        Marco Hülsmann and   
              Jadran Vrabec and   
          Astrid Maaß and   
                     Dirk Reith   Assessment of numerical optimization
                                  algorithms for the development of
                                  molecular models . . . . . . . . . . . . 887--905
                      J. Sainio   CUDAEASY --- a GPU accelerated
                                  cosmological lattice program . . . . . . 906--912
       Monodeep Chakraborty and   
       Jürgen Spitaler and   
             Peter Puschnig and   
         Claudia Ambrosch-Draxl   ATAT@WIEN2k: An interface for cluster
                                  expansion based on the linearized
                                  augmented planewave method . . . . . . . 913--920
                 V. M. Grichine   Geant 4 hadron elastic diffuse model . . 921--927
             P. Hadjidoukas and   
                  C. Bousis and   
                D. Emfietzoglou   Parallelization of a Monte Carlo
                                  particle transport simulation code . . . 928--936
               Jen-Hao Chen and   
                 Jinn-Liang Liu   A numerical method for exact
                                  diagonalization of semiconductor quantum
                                  dot model  . . . . . . . . . . . . . . . 937--946
             Yongxiang Zhao and   
                     Aiguo Xiao   Variational iteration method for
                                  singular perturbation initial value
                                  problems . . . . . . . . . . . . . . . . 947--956
          Mehrdad Lakestani and   
                  Mehdi Dehghan   Numerical solution of Riccati equation
                                  using the cubic B-spline scaling
                                  functions and Chebyshev cardinal
                                  functions  . . . . . . . . . . . . . . . 957--966
               M. E. Castro and   
             A. Niño and   
           C. Muñoz-Caro   A metaheuristic approach to the optimal
                                  definition of molecule-fixed axes in
                                  rovibrational Hamiltonians . . . . . . . 967--977
                 Weiwei Cai and   
           Laura Kranendonk and   
                Tonghun Lee and   
                         Lin Ma   Characterization of composite
                                  nanoparticles using an improved light
                                  scattering program for coated spheres    978--984
             David Eriksson and   
             Johan Rathsman and   
               Oscar Stål   Erratum for ``2HDMC ---
                                  two-Higgs-doublet model calculator''
                                  [Comput. Phys. Commun. \bf 181 (2010)
                                  189] . . . . . . . . . . . . . . . . . . 985--985
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 181, Number 6, June, 2010

                      Anonymous   A generic data structure for integrated
                                  modelling of tokamak physics and
                                  subsystems . . . . . . . . . . . . . . . 987--998
                    Hyungson Ki   Level set method for two-phase
                                  incompressible flows under magnetic
                                  fields . . . . . . . . . . . . . . . . . 999--1007
                  A. Glazov and   
              N. Raicevi\'c and   
                      A. Zhokin   Fast simulation of showers in the H1
                                  calorimeter  . . . . . . . . . . . . . . 1008--1012
        Jonathan R. Clausen and   
      Daniel A. Reasor, Jr. and   
                 Cyrus K. Aidun   Parallel performance of a
                                  lattice-Boltzmann/finite element
                                  cellular blood flow solver on the IBM
                                  Blue Gene/P architecture . . . . . . . . 1013--1020
              Changbum Chun and   
          Rathinasamy Sakthivel   Homotopy perturbation technique for
                                  solving two-point boundary value
                                  problems --- comparison with other
                                  methods  . . . . . . . . . . . . . . . . 1021--1024
           Matthew R. Smith and   
                Fang-An Kuo and   
             Chih-Wei Hsieh and   
               Jen-Perng Yu and   
              Jong-Shinn Wu and   
                  Alex Ferguson   Rapid optimization of blast wave
                                  mitigation strategies using Quiet Direct
                                  Simulation and Genetic Algorithm . . . . 1025--1036
            Seong-Deog Yang and   
              Hyun Geun Lee and   
                    Junseok Kim   A phase-field approach for minimizing
                                  the area of triply periodic surfaces
                                  with volume constraint . . . . . . . . . 1037--1046
                   Minghui Wang   Algorithm Q--LSQR for the least squares
                                  problem in quaternionic quantum theory   1047--1050
                   M. J. Rayson   Rapid filtration algorithm to construct
                                  a minimal basis on the fly from a
                                  primitive Gaussian basis . . . . . . . . 1051--1056
                   C. Bekas and   
                     A. Curioni   Very large scale wavefunction
                                  orthogonalization in Density Functional
                                  Theory electronic structure calculations 1057--1068
                  S. Satake and   
                 Y. Idomura and   
                  H. Sugama and   
                 T.-H. Watanabe   Benchmark test of drift-kinetic and
                                  gyrokinetic codes through neoclassical
                                  transport simulations  . . . . . . . . . 1069--1076
                  Florian Staub   From superpotential to model files for
                                  FeynArts and CalcHep/CompHep . . . . . . 1077--1086
       Aleksey M. Serebrennikov   A novel semi-analytic method for the
                                  analysis of scattering by dielectric
                                  objects immersed in uniform media  . . . 1087--1095
                  K. Parand and   
              Mehdi Dehghan and   
               A. R. Rezaei and   
                  S. M. Ghaderi   An approximation algorithm for the
                                  solution of the nonlinear Lane--Emden
                                  type equations arising in astrophysics
                                  using Hermite functions collocation
                                  method . . . . . . . . . . . . . . . . . 1096--1108
              Shamsul Qamar and   
                Sidrah Mudasser   A kinetic flux-vector splitting method
                                  for the shallow water
                                  magnetohydrodynamics . . . . . . . . . . 1109--1122
               A. R. Samana and   
              F. Krmpoti\'c and   
                C. A. Bertulani   QRAP: a numerical code for projected
                                  (Q)uasiparticle (RA)ndom (P)hase
                                  approximation  . . . . . . . . . . . . . 1123--1135
             B. Gebremariam and   
                  T. Duguet and   
                   S. K. Bogner   Symbolic integration of a product of two
                                  spherical Bessel functions with an
                                  additional exponential and polynomial
                                  factor . . . . . . . . . . . . . . . . . 1136--1143
             Chao-Hsi Chang and   
            Jian-Xiong Wang and   
                   Xing-Gang Wu   GENXICC2.0: An upgraded version of the
                                  generator for hadronic production of
                                  double heavy baryons $ \Xi c c $, $ \Xi
                                  b c $, and $ \Xi b b $ . . . . . . . . . 1144--1149
                 Benzhuo Lu and   
              Xiaolin Cheng and   
             Jingfang Huang and   
             J. Andrew McCammon   AFMPB: An adaptive fast multipole
                                  Poisson--Boltzmann solver for
                                  calculating electrostatics in
                                  biomolecular systems . . . . . . . . . . 1150--1160
                     C. Carasco   MCNP Output Data Analysis with ROOT
                                  (MODAR)  . . . . . . . . . . . . . . . . 1161--1166
             B. Gebremariam and   
               S. K. Bogner and   
                      T. Duguet   Symbolic computation of the
                                  Hartree--Fock energy from a chiral EFT
                                  three-nucleon interaction at N$^2$ LO    1167--1177
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 181, Number 7, July, 2010

                 C. Manuali and   
                A. Lagan\`a and   
                     S. Rampino   GriF: a Grid framework for a Web Service
                                  approach to reactive scattering  . . . . 1179--1185
               A. V. Wolkov and   
              N. B. Petrovskaya   Higher order discontinuous Galerkin
                                  method for acoustic pulse problem  . . . 1186--1194
        Francisco de la Hoz and   
               Fernando Vadillo   An integrating factor for nonlinear
                                  Dirac equations  . . . . . . . . . . . . 1195--1203
                A. D'Angola and   
                   G. Coppa and   
               M. Capitelli and   
                   C. Gorse and   
                     G. Colonna   An efficient energy-conserving numerical
                                  model for the electron energy
                                  distribution function in the presence of
                                  electron-electron collisions . . . . . . 1204--1211
               I. M. Sobol' and   
                  S. Kucherenko   A new derivative based importance
                                  criterion for groups of variables and
                                  its link with the global sensitivity
                                  indices  . . . . . . . . . . . . . . . . 1212--1217
            F. P. Fernandes and   
              F. W. S. Lima and   
                  J. A. Plascak   Blume--Capel model on directed and
                                  undirected small-world Voronoi--Delaunay
                                  random lattices  . . . . . . . . . . . . 1218--1223
                A. Golbabai and   
                M. M. Arabshahi   A numerical method for
                                  diffusion-convection equation using
                                  high-order difference schemes  . . . . . 1224--1230
                Yaming Chen and   
                 Huajun Zhu and   
                    Songhe Song   Multi-symplectic splitting method for
                                  the coupled nonlinear Schrödinger
                                  equation . . . . . . . . . . . . . . . . 1231--1241
          Andrei Bourchtein and   
             Ludmila Bourchtein   On iterated Crank--Nicolson methods for
                                  hyperbolic and parabolic equations . . . 1242--1250
            Th. Monovasilis and   
             Z. Kalogiratou and   
                    T. E. Simos   Symplectic partitioned Runge--Kutta
                                  methods with minimal phase-lag . . . . . 1251--1254
              Mehdi Dehghan and   
                  Rezvan Salehi   Solution of a nonlinear time-delay model
                                  in biology via semi-analytical
                                  approaches . . . . . . . . . . . . . . . 1255--1265
              Reza Mokhtari and   
               Maryam Mohammadi   Numerical solution of GRLW equation
                                  using sinc-collocation method  . . . . . 1266--1274
                   Omar Ramadan   Addendum to: ``A FDTD analysis on
                                  magnetized plasma of Epstein
                                  distribution and reflection
                                  calculation'' [Computer Physics
                                  Communications \bf 180 (1) (2009)
                                  55--60]: a short comment on the
                                  equivalence of the shift-operator FDTD
                                  method and the bilinear frequency
                                  approximation technique for modeling
                                  dispersive electromagnetic applications  1275--1276
                   A. Arbey and   
                    F. Mahmoudi   SuperIso Relic: a program for
                                  calculating relic density and flavor
                                  physics observables in supersymmetry . . 1277--1292
                    C. Studerus   Reduze --- Feynman integral reduction in
                                  C++  . . . . . . . . . . . . . . . . . . 1293--1300
                      T. Reiter   Optimising code generation with haggies  1301--1331
              A. I. Ogoyski and   
                  S. Kawata and   
                    P. H. Popov   Code OK3 --- An upgraded version of OK2
                                  with beam wobbling function  . . . . . . 1332--1333
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 181, Number 8, August, 2010

                  V. Ledoux and   
                   M. Van Daele   Solving Sturm--Liouville problems by
                                  piecewise perturbation methods,
                                  revisited  . . . . . . . . . . . . . . . 1335--1345
Julián Rincón and   
        D. J. García and   
                    K. Hallberg   Improved parallelization techniques for
                                  the density matrix renormalization group 1346--1351
            Toshiaki Kaneko and   
                  Takahiro Ueda   A geometric method of sector
                                  decomposition  . . . . . . . . . . . . . 1352--1361
           S. Stavroyiannis and   
                    T. E. Simos   A nonlinear explicit two-step fourth
                                  algebraic order method of order infinity
                                  for linear periodic initial value
                                  problems . . . . . . . . . . . . . . . . 1362--1368
               Linghua Kong and   
             Jingjing Zhang and   
                   Ying Cao and   
                  Yali Duan and   
                     Hong Huang   Semi-explicit symplectic partitioned
                                  Runge--Kutta Fourier pseudo-spectral
                                  scheme for Klein--Gordon--Schrödinger
                                  equations  . . . . . . . . . . . . . . . 1369--1377
        Jacques C. R. Bloch and   
                Tobias Breu and   
            Andreas Frommer and   
             Simon Heybrock and   
        Katrin Schäfer and   
                    Tilo Wettig   Short-recurrence Krylov subspace methods
                                  for the overlap Dirac operator at
                                  nonzero chemical potential . . . . . . . 1378--1387
              Rafael B. Frigori   Universality in short-time critical
                                  gluodynamics with heat-bath-inspired
                                  algorithms . . . . . . . . . . . . . . . 1388--1391
          Mehrdad Lakestani and   
                  Mehdi Dehghan   Collocation and finite
                                  difference-collocation methods for the
                                  solution of nonlinear Klein--Gordon
                                  equation . . . . . . . . . . . . . . . . 1392--1401
              Toni Giorgino and   
               M. J. Harvey and   
            Gianni de Fabritiis   Distributed computing as a virtual
                                  supercomputer: Tools to run and manage
                                  large-scale BOINC simulations  . . . . . 1402--1409
              Mehdi Dehghan and   
                Arezou Ghesmati   Application of the dual reciprocity
                                  boundary integral equation technique to
                                  solve the nonlinear Klein--Gordon
                                  equation . . . . . . . . . . . . . . . . 1410--1418
               M. Tentyukov and   
            J. A. M. Vermaseren   The multithreaded version of FORM  . . . 1419--1427
             M. J. Pueschel and   
                 T. Dannert and   
                       F. Jenko   On the role of numerical dissipation in
                                  gyrokinetic Vlasov simulations of plasma
                                  microturbulence  . . . . . . . . . . . . 1428--1437
                 Yago Ascasibar   Estimating multidimensional probability
                                  fields using the Field Estimator for
                                  Arbitrary Spaces (FiEstAS) with
                                  applications to astrophysics . . . . . . 1438--1443
                 S. Bianchi and   
                 R. Di Leonardo   Real-time optical micro-manipulation
                                  using optimized holograms generated on
                                  the GPU  . . . . . . . . . . . . . . . . 1444--1448
         Christoph Junghans and   
           Simón Poblete   A reference implementation of the
                                  adaptive resolution scheme in ESPResSo   1449--1454
            Masayuki Toyoda and   
                  Taisuke Ozaki   LIBERI: Library for numerical evaluation
                                  of electron-repulsion integrals  . . . . 1455--1463
               I. V. Grossu and   
                  C. Besliu and   
                   Al. Jipa and   
            C. C. Bordeianu and   
                   D. Felea and   
                    E. Stan and   
                       T. Esanu   Code C# for chaos analysis of
                                  relativistic many-body systems . . . . . 1464--1470
               M. E. Castro and   
             A. Niño and   
           C. Muñoz-Caro   Heuristic computation of the
                                  rovibrational $G$ matrix in optimized
                                  molecule-fixed axes. Gmat 2.1  . . . . . 1471--1475
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 181, Number 9, September, 2010

                  M. Valiev and   
              E. J. Bylaska and   
                  N. Govind and   
                K. Kowalski and   
            T. P. Straatsma and   
           H. J. J. Van Dam and   
                    D. Wang and   
               J. Nieplocha and   
                    E. Apra and   
               T. L. Windus and   
                  W. A. de Jong   NWChem: a comprehensive and scalable
                                  open-source solution for large scale
                                  molecular simulations  . . . . . . . . . 1477--1489
                       M. Honda   Simulation technique of free-boundary
                                  equilibrium evolution in plasma ramp-up
                                  phase  . . . . . . . . . . . . . . . . . 1490--1500
                   C. A. Duarte   Convergence and instability of iterative
                                  procedures on the one-dimensional
                                  Schrödinger--Poisson problem  . . . . . . 1501--1509
         Ian Mondragon-Shem and   
  Boris A. Rodríguez and   
      Francisco E. López   Efficient calculation of Coulomb matrix
                                  elements for bilayers of confined charge
                                  carriers with arbitrary spatial
                                  separation . . . . . . . . . . . . . . . 1510--1516
                M. A. Clark and   
                  R. Babich and   
                  K. Barros and   
               R. C. Brower and   
                       C. Rebbi   Solving lattice QCD systems of equations
                                  using mixed precision solvers on GPUs    1517--1528
             Feng-Nan Hwang and   
             Shang-Rong Cai and   
              Yun-Long Shao and   
                  Jong-Shinn Wu   Parallel Newton--Krylov--Schwarz
                                  algorithms for the three-dimensional
                                  Poisson--Boltzmann equation in numerical
                                  simulation of colloidal particle
                                  interactions . . . . . . . . . . . . . . 1529--1537
               Yonglei Fang and   
                Qinghong Li and   
                     Xinyuan Wu   Extended RKN methods with FSAL property
                                  for oscillatory systems  . . . . . . . . 1538--1548
             Benjamin Block and   
               Peter Virnau and   
                   Tobias Preis   Multi-GPU accelerated multi-spin Monte
                                  Carlo simulations of the $2$D Ising
                                  model  . . . . . . . . . . . . . . . . . 1549--1556
          Robert Hammerling and   
                Othmar Koch and   
              Christa Simon and   
         Ewa B. Weinmüller   Numerical solution of singular ODE
                                  eigenvalue problems in electronic
                                  structure computations . . . . . . . . . 1557--1561
          R. G. M. van der Sman   MRT Lattice Boltzmann schemes for
                                  confined suspension flows  . . . . . . . 1562--1569
             Gunnar S. Bali and   
               Sara Collins and   
           Andreas Schäfer   Effective noise reduction techniques for
                                  disconnected loops in Lattice QCD  . . . 1570--1583
              G. M. Doctors and   
               M. D. Mazzeo and   
                  P. V. Coveney   A computationally efficient method for
                                  simulating fluid flow in elastic pipes
                                  in three dimensions  . . . . . . . . . . 1584--1592
                     S. Ask and   
                 I. V. Akin and   
                 L. Benucci and   
                A. De Roeck and   
                  M. Goebel and   
                      J. Haller   Real emission and virtual exchange of
                                  gravitons and unparticles in Pythia8 . . 1593--1604
              Gaurav Khanna and   
                Justin McKennon   Numerical modeling of gravitational wave
                                  sources accelerated by OpenCL  . . . . . 1605--1611
                      Anonymous   A proposal for a standard interface
                                  between Monte Carlo tools and one-loop
                                  programs . . . . . . . . . . . . . . . . 1612--1622
          Andriy O. Lyakhov and   
            Artem R. Oganov and   
                    Mario Valle   How to predict very large and complex
                                  crystal structures . . . . . . . . . . . 1623--1632
          Bernie D. Shizgal and   
                    Raouf Dridi   Maple code for the calculation of the
                                  matrix elements of the Boltzmann
                                  collision operators for mixtures . . . . 1633--1640
             B. G. Carlsson and   
             J. Dobaczewski and   
                J. Toivanen and   
               P. Veselý   Solution of self-consistent equations
                                  for the N$^3$ LO nuclear energy density
                                  functional in spherical symmetry. The
                                  program hosphe (v1.02) . . . . . . . . . 1641--1657
                     Xinyuan Wu   Erratum to ``Extended RKN-type methods
                                  for numerical integration of perturbed
                                  oscillators'' [Computer Physics
                                  Communications \bf 180 (2009)
                                  1777--1794]  . . . . . . . . . . . . . . 1658--1658
                        S. Nath   Erratum to ``TERS v2.0: An improved
                                  version of TERS'' [Comput. Phys. Commun.
                                  \bf 180 (2009) 2392] . . . . . . . . . . 1659--1659
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 181, Number 10, October, 2010

              J. A. Breslau and   
                       G. Y. Fu   Implementation of an implicit shear
                                  Alfvén operator in the M3D code . . . . . 1661--1670
             Pablo M. Dupuy and   
             H. F. Svendsen and   
         Luciano E. Patruno and   
               Hugo A. Jakobsen   Finite-difference stable stencils based
                                  on least-square quadric fitting  . . . . 1671--1681
                Wan-Qing Li and   
                  Tang Ying and   
                   Wan Jian and   
                    Dong-Jin Yu   Comparison research on the neighbor list
                                  algorithms: Verlet table and linked-cell 1682--1686
          Larry A. Viehland and   
                  Yongbin Chang   Transport cross sections for collisions
                                  between particles  . . . . . . . . . . . 1687--1696
                  Jie Cheng and   
                 Yanqing Hu and   
                  Zengru Di and   
                       Ying Fan   Local adaptive mechanism and hierarchic
                                  social entropy in opinion formation on
                                  complex networks . . . . . . . . . . . . 1697--1701
        Ma\lgorzata J. Krawczyk   Application of the differential
                                  equations method for identifying
                                  communities in sparse networks . . . . . 1702--1706
                R. G. Edgar and   
                M. A. Clark and   
                    K. Dale and   
             D. A. Mitchell and   
                  S. M. Ord and   
                R. B. Wayth and   
                 H. Pfister and   
                L. J. Greenhill   Enabling a high throughput real time
                                  data pipeline for a large radio
                                  telescope array with GPUs  . . . . . . . 1707--1714
        Jakub T. Mo\'scicki and   
               Maciej Wo\'s and   
            Massimo Lamanna and   
       Philippe de Forcrand and   
                  Owe Philipsen   Lattice QCD thermodynamics on the Grid   1715--1726
                C.-S. Chien and   
                S.-L. Chang and   
                        Biao Wu   Two-stage continuation algorithms for
                                  Bloch waves of Bose--Einstein
                                  condensates in optical lattices  . . . . 1727--1737
                   L. Gr. Ixaru   New numerical method for the eigenvalue
                                  problem of the $2$D Schrödinger equation  1738--1742
            A. V. Snytnikov and   
             V. A. Vshivkov and   
                 W. J. Goedheer   Adaptive mass alteration to model
                                  ion-ion recombination in a
                                  Particle-in-Cell simulation of silane
                                  radio-frequency discharges . . . . . . . 1743--1749
             Michael Watson and   
             Ken-Ichi Nishikawa   A method for incorporating the
                                  Kerr--Schild metric in electromagnetic
                                  particle-in-cell code  . . . . . . . . . 1750--1757
                   S. Belov and   
                   L. Dudko and   
               D. Kekelidze and   
                   A. Sherstnev   HepML, an XML-based format for
                                  describing simulated data in high energy
                                  physics  . . . . . . . . . . . . . . . . 1758--1768
           A. V. Nesterenko and   
                      C. Simolo   QCDMAPT: Program package for Analytic
                                  approach to QCD  . . . . . . . . . . . . 1769--1775
                 Pietro Asinari   Nonlinear Boltzmann equation for the
                                  homogeneous isotropic case: Minimal
                                  deterministic Matlab program . . . . . . 1776--1788
                 Wafaa M. Fawzy   A code for analysis of the fine
                                  structure in near-rigid weakly-bonded
                                  open-shell complexes that consist of a
                                  diatomic radical in a $^3 \Sigma $ state
                                  and a closed-shell molecule  . . . . . . 1789--1801
                K. Hasegawa and   
                    S. Moch and   
                        P. Uwer   AutoDipole --- Automated generation of
                                  dipole subtraction terms . . . . . . . . 1802--1817
             S. Stamatiadis and   
                 S. C. Farantos   auto\_deriv: Tool for automatic
                                  differentiation of a Fortran code  . . . 1818--1819
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 181, Number 11, November, 2010

                  James Tickner   Monte Carlo simulation of X-ray and
                                  gamma-ray photon transport on a
                                  graphics-processing unit . . . . . . . . 1821--1832
              Higinio Ramos and   
         Cesáreo Lorenzo   Review of explicit Falkner methods and
                                  its modifications for solving special
                                  second-order I.V.P.s . . . . . . . . . . 1833--1841
J. E. Macías-Díaz   On the simulation of the energy
                                  transmission in the forbidden band-gap
                                  of a spatially discrete double
                                  sine--Gordon system  . . . . . . . . . . 1842--1849
                 Xiaofan Li and   
                   Tong Zhu and   
               Meigen Zhang and   
                    Guihua Long   Seismic scalar wave equation with
                                  variable coefficients modeling by a new
                                  convolutional differentiator . . . . . . 1850--1858
              N. Mohankumar and   
         Tucker Carrington, Jr.   A new approach for determining the time
                                  step when propagating with the Lanczos
                                  algorithm  . . . . . . . . . . . . . . . 1859--1861
               Marc Torrent and   
         N. A. W. Holzwarth and   
     François Jollet and   
               David Harris and   
            Nicholas Lepley and   
                        Xiao Xu   Electronic structure packages: Two
                                  implementations of the projector
                                  augmented wave (PAW) formalism . . . . . 1862--1867
                    R. Jalilian   Non-polynomial spline method for solving
                                  Bratu's problem  . . . . . . . . . . . . 1868--1872
                 Xinyuan Wu and   
                  Xiong You and   
                    Wei Shi and   
                       Bin Wang   ERKN integrators for systems of
                                  oscillatory second-order differential
                                  equations  . . . . . . . . . . . . . . . 1873--1887
                  Jan Kunes and   
              Ryotaro Arita and   
           Philipp Wissgott and   
          Alessandro Toschi and   
              Hiroaki Ikeda and   
                   Karsten Held   Wien2wannier: From linearized augmented
                                  plane waves to maximally localized
                                  Wannier functions  . . . . . . . . . . . 1888--1895
              Gary A. Huber and   
             J. Andrew McCammon   Browndye: a software package for
                                  Brownian dynamics  . . . . . . . . . . . 1896--1905
                 Ajay Rawat and   
                  N. Mohankumar   Milne, a routine for the numerical
                                  solution of Milne's problem  . . . . . . 1906--1910
                 Natan Osterman   TweezPal --- Optical tweezers analysis
                                  and calibration software . . . . . . . . 1911--1916
            Douglas M. Gingrich   Monte Carlo event generator for black
                                  hole production and decay in
                                  proton-proton collisions --- QBH version
                                  1.02 . . . . . . . . . . . . . . . . . . 1917--1924
           Jean-Luc Lamotte and   
       Jean-Marie Chesneaux and   
Fabienne Jézéquel   CADNA\_C: a version of CADNA for use
                                  with C or C++ programs . . . . . . . . . 1925--1926
Fabienne Jézéquel and   
       Jean-Marie Chesneaux and   
               Jean-Luc Lamotte   A new version of the CADNA library for
                                  estimating round-off error propagation
                                  in Fortran programs  . . . . . . . . . . 1927--1928
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 181, Number 12, December, 2010

                   E. Ramos and   
                J. E. Roman and   
           S. Cardona-Serra and   
            J. M. Clemente-Juan   Parallel implementation of the MAGPACK
                                  package for the analysis of
                                  high-nuclearity spin clusters  . . . . . 1929--1940
                      R. Pittau   Testing and improving the numerical
                                  accuracy of the NLO predictions  . . . . 1941--1946
              Akbar Mohebbi and   
                  Mehdi Dehghan   High-order scheme for determination of a
                                  control parameter in an inverse problem
                                  from the over-specified data . . . . . . 1947--1954
                 Xinyuan Wu and   
                       Bin Wang   Multidimensional adapted
                                  Runge--Kutta--Nyström methods for
                                  oscillatory systems  . . . . . . . . . . 1955--1962
          J. Francés and   
                   C. Neipp and   
     M. Pérez-Molina and   
             A. Beléndez   Rigorous interference and diffraction
                                  analysis of diffractive optic elements
                                  using the finite-difference time-domain
                                  method . . . . . . . . . . . . . . . . . 1963--1973
                 Weiwei Cai and   
                         Lin Ma   Comparison of approaches based on
                                  optimization and algebraic iteration for
                                  binary tomography  . . . . . . . . . . . 1974--1981
              M. Carrettoni and   
                   O. Cremonesi   Generation of noise time series with
                                  arbitrary power spectrum . . . . . . . . 1982--1985
            Nobuyuki Masuda and   
            Takashige Sugie and   
              Tomoyoshi Ito and   
            Shinjiro Tanaka and   
                  Yu Hamada and   
           Shin-ichi Satake and   
             Tomoaki Kunugi and   
                    Kazuho Sato   Special purpose computer system with
                                  highly parallel pipelines for flow
                                  visualization using holography
                                  technology . . . . . . . . . . . . . . . 1986--1989
                 Ali Shokri and   
                  Mehdi Dehghan   A Not-a-Knot meshless method using
                                  radial basis functions and
                                  predictor-corrector scheme to the
                                  numerical solution of improved
                                  Boussinesq equation  . . . . . . . . . . 1990--2000
           J. Ambia-Garrido and   
             Arnold Vainrub and   
          B. Montgomery Pettitt   A model for structure and thermodynamics
                                  of ssDNA and dsDNA near a surface: a
                                  coarse grained approach  . . . . . . . . 2001--2007
              Emily M. Ryan and   
   Alexandre M. Tartakovsky and   
                  Cristina Amon   A novel method for modeling Neumann and
                                  Robin boundary conditions in smoothed
                                  particle hydrodynamics . . . . . . . . . 2008--2023
                   Ji Qiang and   
                      Xiaoye Li   Particle-field decomposition and domain
                                  decomposition in parallel
                                  particle-in-cell beam dynamics
                                  simulation . . . . . . . . . . . . . . . 2024--2034
      Magdalena Mierzwiczak and   
             Jan Adam Kolodziej   Application of the method of fundamental
                                  solutions and radial basis functions for
                                  inverse transient heat source problem    2035--2043
                   M. Calvo and   
               J. M. Franco and   
            J. I. Montijano and   
               L. Rández   Symmetric and symplectic exponentially
                                  fitted Runge--Kutta methods of high
                                  order  . . . . . . . . . . . . . . . . . 2044--2056
                   Tian Qiu and   
       Tarik Hadzibeganovic and   
                 Guang Chen and   
               Li-Xin Zhong and   
                    Xiao-Run Wu   Cooperation in the snowdrift game on
                                  directed small-world networks under
                                  self-questioning and noisy conditions    2057--2062
           Spencer E. Olson and   
       Andrew J. Christlieb and   
              Fredrik K. Fatemi   PID feedback for load-balanced parallel
                                  gridless DSMC  . . . . . . . . . . . . . 2063--2071
            Edoardo Patelli and   
      Helmut J. Pradlwarter and   
      Gerhart I. Schuëller   Global sensitivity of structural
                                  variability by random sampling . . . . . 2072--2081
            William J. Menz and   
           Matthew J. Penna and   
                  Mark J. Biggs   TNAMD: Implementation of TIGER2 in NAMD  2082--2085
              Min Hyung Cho and   
                        Wei Cai   A Wideband Fast Multipole Method for the
                                  two-dimensional complex Helmholtz
                                  equation . . . . . . . . . . . . . . . . 2086--2090
         Barry I. Schneider and   
              Javier Segura and   
                 Amparo Gil and   
                Xiaoxu Guan and   
                Klaus Bartschat   A new Fortran 90 program to compute
                                  regular and irregular associated
                                  Legendre functions . . . . . . . . . . . 2091--2097
             Liang-You Peng and   
                   Qihuang Gong   An accurate Fortran code for computing
                                  hydrogenic continuum wave functions at a
                                  wide range of parameters . . . . . . . . 2098--2101
             Arnaud Marmier and   
       Zoe A. D. Lethbridge and   
          Richard I. Walton and   
       Christopher W. Smith and   
          Stephen C. Parker and   
               Kenneth E. Evans   ElAM: a computer program for the
                                  analysis and representation of
                                  anisotropic elastic properties . . . . . 2102--2115
            Ján Busa and   
              Shura Hayryan and   
                Chin-Kun Hu and   
  Jaroslav Skrivánek and   
                   Ming-Chya Wu   CAVE: a package for detection and
                                  quantitative analysis of internal
                                  cavities in a system of overlapping
                                  balls: Application to proteins . . . . . 2116--2125
               Sergio Davis and   
             Claudia Loyola and   
     Felipe González and   
         Joaquín Peralta   Las Palmeras Molecular Dynamics: a
                                  flexible and modular molecular dynamics
                                  code . . . . . . . . . . . . . . . . . . 2126--2139
           Jesse Noffsinger and   
         Feliciano Giustino and   
             Brad D. Malone and   
            Cheol-Hwan Park and   
            Steven G. Louie and   
                Marvin L. Cohen   EPW: a program for calculating the
                                  electron-phonon coupling using maximally
                                  localized Wannier functions  . . . . . . 2140--2148
         Martin Kröger and   
             Markus Hütter   Automated symbolic calculations in
                                  nonequilibrium thermodynamics  . . . . . 2149--2157
             G. von Winckel and   
                      A. Borzi`   QUCON: a fast Krylov--Newton code for
                                  dipole quantum control problems  . . . . 2158--2163
              Scott Rostrup and   
                 Hans De Sterck   Parallel hyperbolic PDE simulation on
                                  clusters: Cell versus GPU  . . . . . . . 2164--2179
                  J. Rosiek and   
           P. H. Chankowski and   
                   A. Dedes and   
              S. Jäger and   
                      P. Tanedo   SUSY\_FLAVOR: a computational tool for
                                  FCNC and CP-violating processes in the
                                  MSSM . . . . . . . . . . . . . . . . . . 2180--2205
                   Bo Zhang and   
             Jingfang Huang and   
         Nikos P. Pitsianis and   
                    Xiaobai Sun   Revision of FMM--Yukawa: An adaptive
                                  fast multipole method for screened
                                  Coulomb interactions . . . . . . . . . . 2206--2207
                 Linda Hung and   
                 Chen Huang and   
                Ilgyou Shin and   
              Gregory S. Ho and   
      Vincent L. Lign\`eres and   
                Emily A. Carter   Introducing PROFESS 2.0: a parallelized,
                                  fully linear scaling program for
                                  orbital-free density functional theory
                                  calculations . . . . . . . . . . . . . . 2208--2209
                     C. Carasco   MCNP output data analysis with ROOT
                                  (MODAR)  . . . . . . . . . . . . . . . . 2210--2211
                Peter Koval and   
                   J. D. Talman   Update of spherical Bessel transform:
                                  FFTW and OpenMP  . . . . . . . . . . . . 2212--2213
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??


Computer Physics Communications
Volume 182, Number 1, January, 2011

                James J. Y. Hsu   Preface  . . . . . . . . . . . . . . . . 1--1
              Kai Schneider and   
               Salah Neffaa and   
               Wouter J. T. Bos   A pseudo-spectral method with volume
                                  penalisation for magnetohydrodynamic
                                  turbulence in confined domains . . . . . 2--7
Vítor Duarte Teodoro and   
                Rui Gomes Neves   Mathematical modelling in science and
                                  mathematics education  . . . . . . . . . 8--10
                  A. S. Barnard   Useful equations for modeling the
                                  relative stability of common
                                  nanoparticle morphologies  . . . . . . . 11--13
                 Tak-San Ho and   
            Herschel Rabitz and   
                     Shih-I Chu   A general formulation of monotonically
                                  convergent algorithms in the control of
                                  quantum dynamics beyond the linear
                                  dipole interaction . . . . . . . . . . . 14--17
           Dmitry A. Telnov and   
                     Shih-I Chu   Time-dependent generalized
                                  pseudospectral method for accurate
                                  treatment of multiphoton processes of
                                  diatomic molecules in intense laser
                                  fields . . . . . . . . . . . . . . . . . 18--20
              Xiao-Min Tong and   
               Nobuyuki Toshima   Time-dependent method in the laser-atom
                                  interactions . . . . . . . . . . . . . . 21--23
               Huey-Wen Lin and   
              Saul D. Cohen and   
                Liuming Liu and   
             Nilmani Mathur and   
             Kostas Orginos and   
              Andre Walker-Loud   Heavy-baryon spectroscopy from lattice
                                  QCD  . . . . . . . . . . . . . . . . . . 24--26
                A. P. Young and   
                   S. Knysh and   
              V. N. Smelyanskiy   The complexity of the Quantum Adiabatic
                                  Algorithm  . . . . . . . . . . . . . . . 27--28
        Hendrick W. de Haan and   
         Michel G. Gauthier and   
        Mykyta V. Chubynsky and   
                 Gary W. Slater   The importance of introducing a waiting
                                  time for Lattice Monte Carlo simulations
                                  of a polymer translocation process . . . 29--32
          Stefan Kesselheim and   
              Marcello Sega and   
                 Christian Holm   Applying ICC* to DNA translocation:
                                  Effect of dielectric boundaries  . . . . 33--35
               Chi-Tin Shih and   
              Yun-Yin Cheng and   
           Stephen A. Wells and   
             Ching-Ling Hsu and   
           Rudolf A. Römer   Charge transport in cancer-related genes
                                  and early carcinogenesis . . . . . . . . 36--38
                  Chih-Kai Yang   Exploring the interaction between the
                                  boron nitride nanotube and biological
                                  molecules  . . . . . . . . . . . . . . . 39--42
                 I. V. Solovyev   Realistic modeling of complex oxide
                                  materials  . . . . . . . . . . . . . . . 43--45
          Vidar Gudmundsson and   
             Chi-Shung Tang and   
        Cosmin Mihai Gainar and   
         Valeriu Moldoveanu and   
               Andrei Manolescu   Time-dependent magnetotransport in
                                  semiconductor nanostructures via the
                                  generalized master equation  . . . . . . 46--48
                 K. Hoshino and   
               T. Yoshikawa and   
                    S. Munejiri   Pressure-induced structural change from
                                  low-density to high-density amorphous
                                  ice by molecular-dynamics simulations    49--51
                Tianxing Ma and   
                 Feiming Hu and   
            Zhongbing Huang and   
                   Hai-Qing Lin   Magnetic correlation in the Hubbard
                                  model on a honeycomb lattice . . . . . . 52--54
                Dingping Li and   
              B. Rosenstein and   
                  Shou Chen and   
                  H. H. Lin and   
                       D. Berco   Glass transition and the replica
                                  symmetry breaking in vortex matter: MC
                                  study  . . . . . . . . . . . . . . . . . 55--57
             Shuji Munejiri and   
             Fuyuki Shimojo and   
                   Kozo Hoshino   Real-space investigation of a transverse
                                  wave in a liquid system generated by a
                                  molecular-dynamics simulation  . . . . . 58--61
                 K. H. Tsai and   
                    Ten-Ming Wu   Entropy of a model for liquid Ga:
                                  Contribution due to Friedel oscillations 62--64
             Chi-Shung Tang and   
          Kristinn Torfason and   
              Vidar Gudmundsson   Magnetotransport in a time-modulated
                                  double quantum point contact system  . . 65--67
                  C. H. Lee and   
                 S. C. Chen and   
                 C. K. Yang and   
                   W. S. Su and   
                      M. F. Lin   Low-energy electronic structures of
                                  nanotube-nanoribbon hybrid systems . . . 68--70
              Chia-Hei Yang and   
             Ching-Ling Hsu and   
               Nan-Yow Chen and   
                   Chi-Tin Shih   Temporal dynamics of site percolation in
                                  nanoparticle assemblies  . . . . . . . . 71--73
                 Feiming Hu and   
                Tianxing Ma and   
                   Hai-Qing Lin   Numerical study of geometrical
                                  frustration: From square to triangular
                                  lattices . . . . . . . . . . . . . . . . 74--76
             Jen-Hsien Wong and   
                   Bi-Ru Wu and   
                    Ming-Fa Lin   Electronic properties of rhombohedral
                                  graphite . . . . . . . . . . . . . . . . 77--80
                 R. F. Hung and   
                   D. Berco and   
             I. Ya. Shapiro and   
                 B. Shapiro and   
                  B. Rosenstein   Electrodynamics of type-II
                                  superconductor with periodic pinning
                                  array  . . . . . . . . . . . . . . . . . 81--83
                 J. C. Tung and   
                      G. Y. Guo   An ab initio study of the magnetic and
                                  electronic properties of Fe, Co, and Ni
                                  nanowires on Cu(001) surface . . . . . . 84--86
           Shoichi Sakamoto and   
          Hiroyoshi Tsuyuki and   
              Mitsuyoshi Tomiya   Stochastic mechanics of electron
                                  transfer in graphene . . . . . . . . . . 87--89
             Naomi Hirayama and   
                 Akira Endo and   
            Kazuhiro Fujita and   
          Yasuhiro Hasegawa and   
            Naomichi Hatano and   
           Hiroaki Nakamura and   
                Ryoen Shirasaki   Temperature distribution in nano-devices
                                  under a strong magnetic field  . . . . . 90--92
             Tay-Rong Chang and   
             Horng-Tay Jeng and   
               Chen-Shiung Hsue   Electronic structures of
                                  quasi-one-dimensional ferrimagnetic
                                  insulator Ca$_3$Co$_2$O$_6$  . . . . . . 93--95
                  Yiming Li and   
              Hui-Wen Cheng and   
                  Ming-Hung Han   Quantum hydrodynamic simulation of
                                  discrete-dopant fluctuated physical
                                  quantities in nanoscale FinFET . . . . . 96--98
                   W. S. Su and   
                   B. R. Wu and   
                    T. C. Leung   A first-principles study on the
                                  electromechanical effect of graphene
                                  nanoribbon . . . . . . . . . . . . . . . 99--102
            Yoshiyuki Egami and   
                   Keita Yamada   First-principles study on
                                  quantum-transport properties of single
                                  molecule depending on adsorption
                                  conditions . . . . . . . . . . . . . . . 103--105
                 C.-C. Chen and   
                  B. Moritz and   
                  C. J. Jia and   
                S. Johnston and   
               A. P. Sorini and   
                  L.-Q. Lee and   
                      K. Ko and   
                T. P. Devereaux   Numerical studies of photon-based
                                  spectroscopies on high-$ T_c $
                                  superconductors  . . . . . . . . . . . . 106--108
                  B. Moritz and   
            T. P. Devereaux and   
                J. K. Freericks   Temporal response of nonequilibrium
                                  correlated electrons . . . . . . . . . . 109--111
                  H. C. Kao and   
               M. Lewkowicz and   
              Y. Korniyenko and   
                  B. Rosenstein   Dynamical approach to ballistic
                                  transport in graphene  . . . . . . . . . 112--114
             N. Blümer and   
                  E. V. Gorelik   Quantum Monte Carlo simulations of
                                  antiferromagnetism in ultracold fermions
                                  on optical lattices within real-space
                                  dynamical mean-field theory  . . . . . . 115--118
             Sabyasachi Kar and   
                       Y. K. Ho   Resonance states of Ps$^-$ using
                                  correlated wave functions  . . . . . . . 119--121
             Arijit Ghoshal and   
                       Y. K. Ho   Doubly excited resonance states of
                                  two-electron systems in exponential
                                  cosine-screened Coulomb potentials . . . 122--124
                  C. Y. Lin and   
                       Y. K. Ho   The photoionization of excited hydrogen
                                  atom in plasmas  . . . . . . . . . . . . 125--129
                    S. Paul and   
                       Y. K. Ho   Solution of the generalized exponential
                                  cosine screened Coulomb potential  . . . 130--133
              M. Chane-Yook and   
                       J. Dubau   Update of UCL computer codes for the
                                  calculation of fine-structure
                                  electron-atom collision cross-section    134--135
              Ju-Tang Hsiao and   
                 Keh-Ning Huang   Applications of the relativistic
                                  equation of motion to photoionization of
                                  Mg-like ions . . . . . . . . . . . . . . 136--139
                  Y.-M. Lee and   
                T.-F. Jiang and   
                   Z.-Y. Su and   
                       J.-S. Wu   Three-dimensional simulation of the
                                  femto-second pulsed laser interacting
                                  with a nitrogen molecule . . . . . . . . 140--142
                   M.-C. Wu and   
                      W.-C. Liu   Non-perturbative time-dependent
                                  numerical simulation for
                                  electromagnetically induced transparency
                                  and slow light in three-level $ \Lambda
                                  $-type atoms . . . . . . . . . . . . . . 143--145
               Ying-Jun Jin and   
              Xiao-Min Tong and   
               Nobuyuki Toshima   Ionization of hydrogen molecular ions in
                                  an intense laser field via a resonant
                                  state  . . . . . . . . . . . . . . . . . 146--148
             Alexei Deinega and   
                    Ilya Valuev   Long-time behavior of PML absorbing
                                  boundaries for layered periodic
                                  structures . . . . . . . . . . . . . . . 149--151
                 S. W. Chau and   
                   S. Y. Lu and   
                     P. J. Wang   Modeling of axis-symmetric steam plasma
                                  flow in a non-transferred torch  . . . . 152--154
                    Jang-Yu Hsu   Relativistic theory of mode conversion
                                  at plasma frequency --- the finite
                                  difference time domain simulation  . . . 155--157
                   Y. Nishimura   A perturbation method for guiding center
                                  orbit following calculations in the
                                  presence of Coulomb collisions . . . . . 158--160
            Chieh-Tsan Hung and   
             Yuan-Ming Chiu and   
             Feng-Nan Hwang and   
                  Jong-Shinn Wu   Development of a parallel implicit
                                  solver of fluid modeling equations for
                                  gas discharges . . . . . . . . . . . . . 161--163
                K.-W. Cheng and   
                 C.-T. Hung and   
               M.-H. Chiang and   
                F.-N. Hwang and   
                       J.-S. Wu   One-dimensional simulation of nitrogen
                                  dielectric barrier discharge driven by a
                                  quasi-pulsed power source and its
                                  comparison with experiments  . . . . . . 164--166
                 Y.-M. Chiu and   
                 C.-T. Hung and   
                F.-N. Hwang and   
               M.-H. Chiang and   
                   J.-S. Wu and   
                     S.-H. Chen   Effect of plasma chemistry on the
                                  simulation of helium
                                  atmospheric-pressure plasmas . . . . . . 167--169
           Matthew R. Smith and   
            Chieh-Tsan Hung and   
                 Kun-Mo Lin and   
              Jong-Shinn Wu and   
                   Jen-Perng Yu   Development of a semi-implicit fluid
                                  modeling code using finite-volume method
                                  based on Cartesian grids . . . . . . . . 170--172
                Xuefei Yuan and   
          Stephen C. Jardin and   
                 David E. Keyes   Moving grids for magnetic reconnection
                                  via Newton--Krylov methods . . . . . . . 173--176
                 Ying-Yi Lo and   
              Chung-Ming Ko and   
                 Chih-Yueh Wang   $3$D Magneto-hydrodynamic simulations of
                                  Parker instability with cosmic rays  . . 177--179
           Alexei Y. Pankin and   
               Alex Pletzer and   
          Srinath Vadlamani and   
               John R. Cary and   
                Ammar Hakim and   
            Scott E. Kruger and   
               Mahmood Miah and   
         Thomas D. Rognlien and   
        Svetlana Shasharina and   
              Glenn Bateman and   
            Arnold H. Kritz and   
                Tariq Rafiq and   
                    FACETS team   Simulation of anomalous transport in
                                  tokamaks using the FACETS code . . . . . 180--184
             Jiann-wien Hsu and   
                 Ding-wei Huang   Dynamics of citation distribution  . . . 185--187
         Gabriel Villalobos and   
           Dorian L. Linero and   
    José D. Muñoz   A statistical model of fracture for a
                                  $2$D hexagonal mesh: The Cell Network
                                  Model of Fracture for the bamboo \em
                                  Guadua angustifolia  . . . . . . . . . . 188--191
            Susumu Fujiwara and   
              Daiki Funaoka and   
               Takashi Itoh and   
               Masato Hashimoto   Molecular dynamics simulation for phase
                                  behavior of amphiphilic solution . . . . 192--194
               Chi-Tin Shih and   
              Hsuan-Wen Lin and   
                Ann-Shyn Chiang   Statistical analysis and modeling of the
                                  temperature-dependent sleep behavior of
                                  drosophila . . . . . . . . . . . . . . . 195--197
                J. L. Huang and   
                 H. J. Chen and   
                    H. C. Tseng   The flow of a reversible ratchet . . . . 198--200
                 Hao-Yun Wu and   
               Chung-I Chou and   
                  Jie-Jun Tseng   A simple marriage model for the
                                  power-law behaviour in the frequency
                                  distributions of family names  . . . . . 201--204
                Yu-Cih Peng and   
                   Chung-I Chou   Simulation of pedestrian flow through a
                                  ``T'' intersection: a multi-floor field
                                  cellular automata approach . . . . . . . 205--208
                   Chung-I Chou   A Knowledge-based Evolution Algorithm
                                  approach to political districting
                                  problem  . . . . . . . . . . . . . . . . 209--212
                B. J. Huang and   
                    Ten-Ming Wu   Numerical studies for
                                  localization-delocalization transition
                                  in vibrational spectra . . . . . . . . . 213--215
              Moon-Yong Cha and   
                Jae Woo Lee and   
               Deok-Sun Lee and   
                   Doo Hwan Kim   Wealth dynamics in world trade . . . . . 216--218
                Jaewon Choi and   
               Gyuchang Lim and   
               Soo Yong Kim and   
                   Kyungsik Kim   Information of group-correlations in
                                  Korean financial market  . . . . . . . . 219--222
                  Nen Saito and   
                     Yukito Iba   Probability of graphs with large
                                  spectral gap by multicanonical Monte
                                  Carlo  . . . . . . . . . . . . . . . . . 223--225
              Chien-Fu Chen and   
             An-Chung Cheng and   
               Yi-Duen Wang and   
                    Chai-Yu Lin   Universal scaling functions of a
                                  dissipative Manna model  . . . . . . . . 226--228
                    M. Hasegawa   Positive role of glassy dynamics in
                                  finite-time optimization by threshold
                                  algorithms . . . . . . . . . . . . . . . 229--231
           Chih-Hsien Huang and   
                Jing-Nuo Wu and   
            Szu-Cheng Cheng and   
                 Wen-Feng Hsieh   The evolution of solitons in coupled
                                  resonator optical waveguides and
                                  photonic-crystal waveguides  . . . . . . 232--236
               Shin-ichi Tadaki   Effects of fast noises on long-range
                                  correlations . . . . . . . . . . . . . . 237--239
            Naohito Urakami and   
                Junko Imada and   
               Takashi Yamamoto   Simulation of chain length recognition
                                  observed in formation of inclusion
                                  complex  . . . . . . . . . . . . . . . . 240--242
               Doo Hwan Kim and   
              Moon-Yong Cha and   
                    Jae Woo Lee   The persistence probability and the
                                  price-price correlation functions in the
                                  Korean stock market  . . . . . . . . . . 243--244
          Mitsuyoshi Tomiya and   
          Hiroyoshi Tsuyuki and   
               Shoichi Sakamoto   Quantum fidelity and dynamical scar
                                  states on chaotic billiard system  . . . 245--248
              Yao-Chen Hung and   
                    Chin-Kun Hu   Constructive role of noise in p53
                                  regulatory network . . . . . . . . . . . 249--250
           Akimasa Kitajima and   
                     Yukito Iba   Multicanonical sampling of rare
                                  trajectories in chaotic dynamical
                                  systems  . . . . . . . . . . . . . . . . 251--253
               Ke-Jung Chen and   
            Alexander Heger and   
                 Ann S. Almgren   Multidimensional simulations of
                                  pair-instability supernovae  . . . . . . 254--256
            Masayuki Ohzeki and   
            Hidetoshi Nishimori   Quantum annealing with Jarzynski
                                  equality . . . . . . . . . . . . . . . . 257--259
              Hui-Wen Cheng and   
                  Yiming Li and   
                  Jung-Yen Yang   Investigation of Raman enhancement in
                                  hydrothermally roughened SERS-active
                                  substrates . . . . . . . . . . . . . . . 260--262
                     Hongsuk Yi   Performance evaluation of GAIA
                                  supercomputer using NPB multi-zone
                                  benchmarks . . . . . . . . . . . . . . . 263--265
             Chao-Tung Yang and   
             Chih-Lin Huang and   
                 Cheng-Fang Lin   Hybrid CUDA, OpenMP, and MPI parallel
                                  programming on multicore GPU clusters    266--269
                      Anonymous   The advanced data searching system with
                                  AMGA at the Belle II experiment  . . . . 270--273
                 Shinichi Miura   A variational path integral molecular
                                  dynamics study of a solid helium-4 . . . 274--276
             Soonwook Hwang and   
                  Hangi Kim and   
                     Seyong Kim   Large-scale deployment of two-color QCD
                                  simulations on the grid using Ganga  . . 277--279
                      Anonymous   Computer Physics Communications --- List
                                  of Editors . . . . . . . . . . . . . . . iv--vi
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 182, Number 2, February, 2011

           Laura E. Walizer and   
                 John F. Peters   A bounding box search algorithm for DEM
                                  simulation . . . . . . . . . . . . . . . 281--288
            B. M. Stupovski and   
            J. V. Crnjanski and   
                D. M. Gvozdi\'c   Application of coordinate transformation
                                  and finite differences method in
                                  numerical modeling of quantum dash band
                                  structure  . . . . . . . . . . . . . . . 289--298
                 Remi Baron and   
           Philippe Boucaud and   
            Jaume Carbonell and   
              Vincent Drach and   
         Federico Farchioni and   
          Gregorio Herdoiza and   
                Karl Jansen and   
              Chris Michael and   
             Istvan Montvay and   
        Elisabetta Pallante and   
             Olivier P\`ene and   
              Siebren Reker and   
             Carsten Urbach and   
                Marc Wagner and   
                     Urs Wenger   Computing K and D meson masses with $ N
                                  f = 2 + 1 + 1 $ twisted mass lattice QCD 299--316
Frédéric Wrobel and   
Frédéric Saigné   MC--ORACLE: a tool for predicting Soft
                                  Error Rate . . . . . . . . . . . . . . . 317--321
              R. D'Ambrosio and   
               L. Gr. Ixaru and   
                 B. Paternoster   Construction of the ef-based
                                  Runge--Kutta methods revisited . . . . . 322--329
         Gian Luca Delzanno and   
                   John M. Finn   The fluid dynamic approach to
                                  equidistribution methods for grid
                                  adaptation . . . . . . . . . . . . . . . 330--346
                 G. Zuccaro and   
                 G. Lapenta and   
                 F. Ferrero and   
                      G. Maizza   Multiphase and multiphysics particle in
                                  cell simulation of soot deposition
                                  inside a diesel particulate filter
                                  single channel . . . . . . . . . . . . . 347--359
              Min Hyung Cho and   
                Haiyu Zheng and   
                  Yuehui Lu and   
               YoungPak Lee and   
                        Wei Cai   Improved rigorous coupled-wave analysis
                                  for polar magnetic gratings  . . . . . . 360--365
               Moussa Smadi and   
               Derradji Bahloul   A compact split step Padé scheme for
                                  higher-order nonlinear Schrödinger
                                  equation (HNLS) with power law
                                  nonlinearity and fourth order dispersion 366--371
             David C. Lonie and   
                      Eva Zurek   XtalOpt: An open-source evolutionary
                                  algorithm for crystal structure
                                  prediction . . . . . . . . . . . . . . . 372--387
                 Paolo Barletta   COOL: a code for dynamic Monte Carlo
                                  simulation of molecular dynamics . . . . 388--399
     Mohammad A. Charsooghi and   
          Ehsan A. Akhlaghi and   
          Sharareh Tavaddod and   
              H. R. Khalesifard   A Matlab program to calculate
                                  translational and rotational diffusion
                                  coefficients of a single particle  . . . 400--408
                  Joel Ekstrand   Lambda: a Mathematica package for
                                  operator product expansions in vertex
                                  algebras . . . . . . . . . . . . . . . . 409--418
                  A. E. Kramida   The program LOPT for least-squares
                                  optimization of energy levels  . . . . . 419--434
                  R. Kleiss and   
                G. van den Oord   CAMORRA: a C++ library for recursive
                                  computation of particle scattering
                                  amplitudes . . . . . . . . . . . . . . . 435--447
              D. Sokolovski and   
             E. Akhmatskaya and   
                      S. K. Sen   Extracting $S$-matrix poles for
                                  resonances from numerical scattering
                                  data: Type-II Padé reconstruction . . . . 448--466
Tarcísio M. Rocha Filho and   
             Annibal Figueiredo   [SADE]: a Maple package for the symmetry
                                  analysis of differential equations . . . 467--476
                 Boaz Keren-Zur   HidSecSOFTSUSY: Incorporating effects
                                  from hidden sectors in the numerical
                                  computation of the MSSM spectrum . . . . 477--484
          Fabian Czerwinski and   
             Lene B. Oddershede   TimeSeriesStreaming.vi: LabVIEW program
                                  for reliable data streaming of large
                                  analog time series . . . . . . . . . . . 485--489
                       M. Botje   QCDNUM: Fast QCD evolution and
                                  convolution  . . . . . . . . . . . . . . 490--532
                J. M. Badia and   
              J. L. Movilla and   
             J. I. Climente and   
                M. Castillo and   
          M. Marqués and   
                    R. Mayo and   
 E. S. Quintana-Ortí and   
                   J. Planelles   Large-scale linear system solver using
                                  secondary storage: Self-energy in hybrid
                                  nanostructures . . . . . . . . . . . . . 533--539
               Ling Ti Kong and   
            Colin Denniston and   
           Martin H. Müser   An improved version of the Green's
                                  function molecular dynamics method . . . 540--541
                 G. Opletal and   
             T. C. Petersen and   
                B. O'Malley and   
                I. K. Snook and   
            D. G. McCulloch and   
                    I. Yarovsky   HRMC\_1.1: Hybrid Reverse Monte Carlo
                                  method with silicon and carbon
                                  potentials . . . . . . . . . . . . . . . 542--542
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 182, Number 3, March, 2011

                   S. Boeck and   
               C. Freysoldt and   
                    A. Dick and   
                   L. Ismer and   
                  J. Neugebauer   The object-oriented DFT program library
                                  S/PHI/nX . . . . . . . . . . . . . . . . 543--554
       Rodrigo Coura Torres and   
    Andre Rabello dos Anjos and   
José Manoel de Seixas and   
                  Igor Soloviev   Automatizing the online filter test
                                  management for a general-purpose
                                  particle detector  . . . . . . . . . . . 555--563
                  W. W. Lee and   
              T. G. Jenkins and   
                      S. Ethier   A generalized weight-based
                                  particle-in-cell simulation scheme . . . 564--569
                  N. Mellet and   
               W. A. Cooper and   
                P. Popovich and   
                 L. Villard and   
                     S. Brunner   Convolution and iterative methods
                                  applied to low-frequency waves in $3$D
                                  warm configurations  . . . . . . . . . . 570--589
          D. Romero-Laorden and   
O. Martínez-Graullera and   
        C. J. Martín and   
            M. Pérez and   
                   L. G. Ullate   Field modelling acceleration on
                                  ultrasonic systems using graphic
                                  hardware . . . . . . . . . . . . . . . . 590--599
     Miroslav Morhác and   
             Vladislav Matousek   Event sorting methods of $ \gamma $-ray
                                  spectroscopic data . . . . . . . . . . . 600--610
             Ulrich Welling and   
                  Guido Germano   Efficiency of linked cell algorithms . . 611--615
                 Huajun Zhu and   
                Songhe Song and   
                      Yifa Tang   Multi-symplectic wavelet collocation
                                  method for the nonlinear Schrödinger
                                  equation and the Camassa--Holm equation  616--627
                N. Ferrando and   
      M. A. Gosálvez and   
            J. Cerdá and   
                   R. Gadea and   
                        K. Sato   Octree-based, GPU implementation of a
                                  continuous cellular automaton for the
                                  simulation of complex, evolving surfaces 628--640
            Viktor K. Decyk and   
              Tajendra V. Singh   Adaptable Particle-in-Cell algorithms
                                  for graphical processing units . . . . . 641--648
                   Zhen F. Tian   A rational high-order compact ADI method
                                  for unsteady convection-diffusion
                                  equations  . . . . . . . . . . . . . . . 649--662
                   Liang-Wu Cai   On the computation of spherical Bessel
                                  functions of complex arguments . . . . . 663--668
Javier Ibáñez and   
       Vicente Hernández   Solving differential matrix Riccati
                                  equations by a piecewise-linearized
                                  method based on diagonal Padé
                                  approximants . . . . . . . . . . . . . . 669--678
                T. F. Silva and   
                  M. N. Martins   Statistical treatment of misalignments
                                  in particle accelerators . . . . . . . . 679--682
         M. S. Zakynthinaki and   
              R. O. Barakat and   
C. A. Cordente Martínez and   
          J. Sampedro Molinuevo   Stochastic optimization for the
                                  detection of changes in maternal heart
                                  rate kinetics during pregnancy . . . . . 683--691
                  Vadim Demchik   Pseudo-random number generators for
                                  Monte Carlo simulations on ATI Graphics
                                  Processing Units . . . . . . . . . . . . 692--705
               Hanquan Wang and   
                     Weibiao Xu   An efficient numerical method for
                                  simulating the dynamics of coupling
                                  Bose--Einstein condensates in optical
                                  resonators . . . . . . . . . . . . . . . 706--718
          A. G. Cunha-Netto and   
                     R. Dickman   Critical behavior of hard-core lattice
                                  gases: Wang--Landau sampling with
                                  adaptive windows . . . . . . . . . . . . 719--725
                 Binh Trieu and   
         Kristel Michielsen and   
                  Hans De Raedt   Event-based simulation of light
                                  propagation in lossless dielectric media 726--734
             V. Krasilnikov and   
                 D. Marocco and   
                B. Esposito and   
                    M. Riva and   
                   Yu. Kaschuck   Fast pulse detection algorithms for
                                  digitized waveforms from scintillators   735--738
        Robert Fleischhaker and   
                Jörg Evers   A Maxwell--Schrödinger solver for quantum
                                  optical few-level systems  . . . . . . . 739--747
               M. Slawinska and   
                      S. Jadach   MCdevelop --- a universal framework for
                                  stochastic simulations . . . . . . . . . 748--762
         G. Bélanger and   
        Neil D. Christensen and   
                  A. Pukhov and   
                     A. Semenov   SLHAplus: a library for implementing
                                  extensions of the Standard Model . . . . 763--774
        Markus Wallerberger and   
        Katharina Igenbergs and   
           Josef Schweinzer and   
               Friedrich Aumayr   Fast computation of close-coupling
                                  exchange integrals using polynomials in
                                  a tree representation  . . . . . . . . . 775--778
                N. Davidson and   
                 P. Golonka and   
           T. Przedzi\'nski and   
                       Z. W\kas   MC-TESTER v. 1.23: a universal tool for
                                  comparisons of Monte Carlo predictions
                                  for particle decays in high energy
                                  physics  . . . . . . . . . . . . . . . . 779--789
              A. V. Smirnov and   
              V. A. Smirnov and   
                   M. Tentyukov   FIESTA 2: Parallelizeable multiloop
                                  numerical calculations . . . . . . . . . 790--803
          Abhishek K. Singh and   
            Evgeni S. Penev and   
              Boris I. Yakobson   Armchair or Zigzag? A tool for
                                  characterizing graphene edge . . . . . . 804--807
                  Florian Staub   Automatic calculation of supersymmetric
                                  renormalization group equations and loop
                                  corrections  . . . . . . . . . . . . . . 808--833
         Ioannis G. Tsoulos and   
       Athanassios Stavrakoudis   Eucb: a C++ program for molecular
                                  dynamics trajectory analysis . . . . . . 834--841
         G. Bélanger and   
                F. Boudjema and   
                    P. Brun and   
                  A. Pukhov and   
             S. Rosier-Lees and   
                  P. Salati and   
                     A. Semenov   Indirect search for dark matter with
                                  micrOMEGAs\_2.4  . . . . . . . . . . . . 842--856
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 182, Number 4, April, 2011

     José Juan Tapia and   
              Roshan M. D'Souza   Parallelizing the Cellular Potts Model
                                  on graphics processing units . . . . . . 857--865
                 M. Antuono and   
              A. Colagrossi and   
                 S. Marrone and   
                       C. Lugni   Propagation of gravity waves through an
                                  SPH scheme with numerical diffusive
                                  terms  . . . . . . . . . . . . . . . . . 866--877
        Jacques C. R. Bloch and   
                 Simon Heybrock   A nested Krylov subspace method to
                                  compute the sign function of large
                                  complex matrices . . . . . . . . . . . . 878--889
              Luis Cabellos and   
              Isabel Campos and   
Enol Fernández-del-Castillo and   
              Michal Owsiak and   
               Bartek Palak and   
       Marcin Plóciennik   Scientific workflow orchestration
                                  interoperating HTC and HPC resources . . 890--897
           W. Michael Brown and   
                  Peng Wang and   
         Steven J. Plimpton and   
          Arnold N. Tharrington   Implementing molecular dynamics on
                                  hybrid high performance computers ---
                                  short range forces . . . . . . . . . . . 898--911
                  M. Jucker and   
               J. P. Graves and   
               W. A. Cooper and   
                  N. Mellet and   
                 T. Johnson and   
                     S. Brunner   Integrated modeling for ion cyclotron
                                  resonant heating in toroidal systems . . 912--925
                 D. C. Rapaport   Enhanced molecular dynamics performance
                                  with a programmable graphics processor   926--934
             Zachary B. Walters   Efficient wavefunction propagation by
                                  minimizing accumulated action  . . . . . 935--939
            Ya. A. Ilyushin and   
                    V. P. Budak   Analysis of the propagation of the
                                  femtosecond laser pulse in the
                                  scattering medium  . . . . . . . . . . . 940--945
        Joachim Müller and   
                 Sven Simon and   
             Uwe Motschmann and   
          Josef Schüle and   
      Karl-Heinz Glassmeier and   
               Gavin J. Pringle   A.I.K.E.F.: Adaptive hybrid model for
                                  space plasma simulations . . . . . . . . 946--966
             Graziela Grise and   
          Michael Meyer-Hermann   Surface reconstruction using Delaunay
                                  triangulation for applications in life
                                  sciences . . . . . . . . . . . . . . . . 967--977
       Francesca Campolongo and   
            Andrea Saltelli and   
               Jessica Cariboni   From screening to quantitative
                                  sensitivity analysis. A unified approach 978--988
              Alison Barros and   
    Euler de Vilhena Garcia and   
           Rafael Morgado Silva   Simulation of stochastic processes using
                                  graphics hardware  . . . . . . . . . . . 989--993
              Shamsul Qamar and   
            Muhammad Yousaf and   
                Sidrah Mudasser   The space--time CE/SE method for solving
                                  ultra-relativistic Euler equations . . . 994--1004
                 R. Kleiber and   
                  R. Hatzky and   
             A. Könies and   
               K. Kauffmann and   
                    P. Helander   An improved control-variate scheme for
                                  particle-in-cell simulations with
                                  collisions . . . . . . . . . . . . . . . 1005--1012
                  S. K. Lai and   
                Yu-Ting Lin and   
                  P. J. Hsu and   
                   S. A. Cheong   Dynamical study of metallic clusters
                                  using the statistical method of time
                                  series clustering  . . . . . . . . . . . 1013--1026
               Jae Hwan Lee and   
             Seung-Yeon Kim and   
                     Julian Lee   Parallel algorithm for calculation of
                                  the exact partition function of a
                                  lattice polymer  . . . . . . . . . . . . 1027--1033
                   M. Aliev and   
                  H. Lacker and   
              U. Langenfeld and   
                    S. Moch and   
                    P. Uwer and   
                  M. Wiedermann   HATHOR --- HAdronic Top and Heavy quarks
                                  crOss section calculatoR . . . . . . . . 1034--1046
            Alejandro Lorca and   
              Eduardo Huedo and   
            Ignacio M. Llorente   The Grid[Way] Job Template Manager, a
                                  tool for parameter sweeping  . . . . . . 1047--1060
          Matthew O. Zacate and   
             William E. Evenson   Stochastic hyperfine interactions
                                  modeling library . . . . . . . . . . . . 1061--1077
               Emanuel Gull and   
             Philipp Werner and   
            Sebastian Fuchs and   
             Brigitte Surer and   
            Thomas Pruschke and   
                Matthias Troyer   Continuous-time quantum Monte Carlo
                                  impurity solvers . . . . . . . . . . . . 1078--1082
                Niall Moran and   
               Graham Kells and   
                      Jiri Vala   Diagonalisation of quantum observables
                                  on regular lattices and general graphs   1083--1092
               M. J. Harvey and   
                G. De Fabritiis   Swan: a tool for porting CUDA programs
                                  to OpenCL  . . . . . . . . . . . . . . . 1093--1099
             Alexis Diaz-Torres   PLATYPUS: a code for reaction dynamics
                                  of weakly-bound nuclei at near-barrier
                                  energies within a classical dynamical
                                  model  . . . . . . . . . . . . . . . . . 1100--1104
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 182, Number 5, May, 2011

            Sergio M. Davis and   
      Anatoly B. Belonoshko and   
           Börje Johansson   SearchFill: a stochastic optimization
                                  code for detecting atomic vacancies in
                                  crystalline and non-crystalline systems  1105--1110
                   Yali Liu and   
                Changjun Hu and   
                Chongchong Zhao   Efficient parallel implementation of
                                  Ewald summation in molecular dynamics
                                  simulations on multi-core platforms  . . 1111--1119
           Peter H. Colberg and   
             Felix Höfling   Highly accelerated simulations of glassy
                                  dynamics using GPUs: Caveats on limited
                                  floating-point precision . . . . . . . . 1120--1129
         J. B. Santos-Filho and   
                  J. A. Plascak   Monte Carlo simulations of the
                                  site-diluted three-dimensional XY model  1130--1133
              Ram K. Pandey and   
               Om. P. Singh and   
              Vipul K. Baranwal   An analytic algorithm for the
                                  space--time fractional
                                  advection-dispersion equation  . . . . . 1134--1144
     Darío M. Mitnik and   
      Flavio D. Colavecchia and   
            Gustavo Gasaneo and   
               Juan M. Randazzo   Computational methods for Generalized
                                  Sturmians basis  . . . . . . . . . . . . 1145--1155
           A. E. Vladimirov and   
                S. W. Digel and   
      G. Jóhannesson and   
            P. F. Michelson and   
           I. V. Moskalenko and   
                P. L. Nolan and   
                 E. Orlando and   
               T. A. Porter and   
                   A. W. Strong   GALPROP WebRun: An Internet-based
                                  service for calculating galactic cosmic
                                  ray propagation and associated photon
                                  emissions  . . . . . . . . . . . . . . . 1156--1161
                   Shoji Hamada   GPU-accelerated indirect boundary
                                  element method for voxel model analyses
                                  with fast multipole method . . . . . . . 1162--1168
                     M. S. Reis   Models for zero-dimensional molecular
                                  magnets  . . . . . . . . . . . . . . . . 1169--1177
           Shin-ichi Satake and   
             Gaku Sorimachi and   
            Nobuyuki Masuda and   
                  Tomoyoshi Ito   Special-purpose computer for Particle
                                  Image Velocimetry  . . . . . . . . . . . 1178--1182
    Torbjörn Björkman   CIF2Cell: Generating geometries for
                                  electronic structure programs  . . . . . 1183--1186
            C. David Pruett and   
          William H. Ingham and   
                Ralph D. Herman   Parallel implementation of an adaptive
                                  and parameter-free $N$-body integrator   1187--1198
                    Liqiang Wei   Direct and exact compute and table of
                                  entire 3$j$, 6$j$, and 9$j$ symbols:
                                  Erratum to CPC \bf 120 (1999) 222--230   1199--1199
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 182, Number 6, June, 2011

                Ki-Hwan Kim and   
               KyoungHo Kim and   
                     Q-Han Park   Performance analysis and optimization of
                                  three-dimensional FDTD on GPU using
                                  roofline model . . . . . . . . . . . . . 1201--1207
            Mark G. Beckett and   
            Paul Coddington and   
   Bálint Joó and   
           Chris M. Maynard and   
               Dirk Pleiter and   
               Osamu Tatebe and   
                Tomoteru Yoshie   Building the International Lattice Data
                                  Grid . . . . . . . . . . . . . . . . . . 1208--1214
                   Z.-C. Li and   
                 S.-Y. Chen and   
                C.-S. Chien and   
                     H.-S. Chen   A spectral collocation method for a
                                  rotating Bose--Einstein condensation in
                                  optical lattices . . . . . . . . . . . . 1215--1234
          Brecht Verstichel and   
          Helen van Aggelen and   
           Dimitri Van Neck and   
           Patrick Bultinck and   
          Stijn De Baerdemacker   A primal-dual semidefinite programming
                                  algorithm tailored to the variational
                                  determination of the two-body density
                                  matrix . . . . . . . . . . . . . . . . . 1235--1244
              Taisuke Ozaki and   
                Masayuki Toyoda   Accurate finite element method for
                                  atomic calculations based on density
                                  functional theory and Hartree--Fock
                                  method . . . . . . . . . . . . . . . . . 1245--1252
                R. Bonciani and   
                G. Degrassi and   
                      A. Vicini   On the generalized harmonic
                                  polylogarithms of one complex variable   1253--1264
               M. Bernaschi and   
                  G. Parisi and   
                      L. Parisi   Benchmarking GPU and CPU codes for
                                  Heisenberg spin glass over-relaxation    1265--1271
                 Rio Yokota and   
         Jaydeep P. Bardhan and   
         Matthew G. Knepley and   
                L. A. Barba and   
                Tsuyoshi Hamada   Biomolecular electrostatics using a fast
                                  multipole BEM on up to 512 GPUs and a
                                  billion unknowns . . . . . . . . . . . . 1272--1283
              Mehdi Dehghan and   
             Rooholah Jazlanian   A high-order non-oscillatory central
                                  scheme with non-staggered grids for
                                  hyperbolic conservation laws . . . . . . 1284--1294
               Guoxin Cheng and   
                        Lie Liu   Monte Carlo modeling of secondary
                                  electron emission and its incorporation
                                  in particle simulations of
                                  electron-surface interaction . . . . . . 1295--1303
            Alain Carapelle and   
           Jean-Marc Defise and   
              David Strivay and   
            Henri-Pierre Garnir   Handheld modern computer brings new
                                  features to portable X-ray fluorescence
                                  coating thickness measurement device . . 1304--1306
              Gergely Endr\Hodi   Multidimensional spline integration of
                                  scattered data . . . . . . . . . . . . . 1307--1314
       Charlotte Froese Fischer   A B-spline Hartree--Fock program . . . . 1315--1326
             Christian B. Mendl   The FermiFab toolbox for fermionic
                                  many-particle quantum systems  . . . . . 1327--1337
                Henryk Czyz and   
                 Sergiy Ivashyn   EKHARA: a Monte Carlo generator for $
                                  e^+ e^- \to e^+ e^- \pi^0 $ and $ e^+
                                  e^- \to e^+ e^- \pi^+ \pi^- $ processes  1338--1349
               Preetma Soin and   
            A. P. Horsfield and   
                 D. Nguyen-Manh   Efficient self-consistency for magnetic
                                  tight binding  . . . . . . . . . . . . . 1350--1360
                 Zhiwei Lin and   
               Shaoen Jiang and   
                Shunchao Wu and   
                   Longyu Kuang   A local rezoning and remapping method
                                  for unstructured mesh  . . . . . . . . . 1361--1376
             S. Mickevicius and   
              E. Brazauskas and   
                D. Germanas and   
              R. K. Kalinauskas   The four-particle harmonic-oscillator
                                  brackets: Compact expressions and
                                  updated Fortran program  . . . . . . . . 1377--1381
             Thomas Müller   GeodesicViewer --- a tool for exploring
                                  geodesics in the theory of relativity    1382--1383
                      Anonymous   ROOT --- a C++ framework for petabyte
                                  data storage, statistical analysis and
                                  visualization  . . . . . . . . . . . . . 1384--1385
             Thomas Müller   Motion4D-library extended  . . . . . . . 1386--1388
                Andrzej Daniluk   Cooperative and competitive concurrency
                                  in scientific computing. A full
                                  open-source upgrade of the program for
                                  dynamical calculations of RHEED
                                  intensity oscillations . . . . . . . . . 1389--1390
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 182, Number 7, July, 2011

                   M. Blank and   
                   A. Krassnigg   Matrix algorithms for solving
                                  (in)homogeneous bound state equations    1391--1401
           Raoudha Chaabane and   
               Faouzi Askri and   
            Sassi Ben Nasrallah   Analysis of two-dimensional transient
                                  conduction-radiation problems in an
                                  anisotropically scattering participating
                                  enclosure using the lattice Boltzmann
                                  method and the control volume finite
                                  element method . . . . . . . . . . . . . 1402--1413
    J. M. Alcaraz-Pelegrina and   
P. Rodríguez-García   Simulations of pulse propagation in
                                  optical fibers using graphics processor
                                  units  . . . . . . . . . . . . . . . . . 1414--1420
              Stefan Maintz and   
               Bernhard Eck and   
            Richard Dronskowski   Speeding up plane-wave
                                  electronic-structure calculations using
                                  graphics-processing units  . . . . . . . 1421--1427
           Barbara Kirchner and   
      Christian Spickermann and   
    Sebastian B. C. Lehmann and   
                  Eva Perlt and   
            Johanna Langner and   
        Michael von Domaros and   
           Patricia Reuther and   
                Frank Uhlig and   
             Miriam Kohagen and   
              Marc Brüssel   What can clusters tell us about the
                                  bulk?: Peacemaker: Extended quantum
                                  cluster equilibrium calculations . . . . 1428--1446
                     Jun Li and   
                     Yi Sun and   
                 Zhiwei Cui and   
                    Fanlin Zeng   Least square method for the calculation
                                  of elastic constants . . . . . . . . . . 1447--1451
              Albert H. Mao and   
                 Rohit V. Pappu   Exact recording of
                                  Metropolis--Hastings-class Monte Carlo
                                  simulations using one bit per sample . . 1452--1454
            Apostol Gramada and   
               Philip E. Bourne   Coarse-graining the electrostatic
                                  potential via distributed multipole
                                  expansions . . . . . . . . . . . . . . . 1455--1462
               V. N. Pavlov and   
            M. V. Chukalina and   
          A. A. Veligzhanin and   
               Y. V. Zubavichus   Optimum filtering and stochastic
                                  optimization in EXAFS data analysis  . . 1463--1466
              Henrik Schulz and   
    Géza Ódor and   
        Gergely Ódor and   
 Máté Ferenc Nagy   Simulation of $ 1 + 1 $ dimensional
                                  surface growth and lattices gases using
                                  GPUs . . . . . . . . . . . . . . . . . . 1467--1476
              Tomasz Korzec and   
            Ingmar Vierhaus and   
                     Ulli Wolff   Performance of a worm algorithm in $
                                  \phi^4 $ theory at finite quartic
                                  coupling . . . . . . . . . . . . . . . . 1477--1480
                  Xiong You and   
              Yonghui Zhang and   
                     Jinxi Zhao   Trigonometrically-fitted Scheifele
                                  two-step methods for perturbed
                                  oscillators  . . . . . . . . . . . . . . 1481--1490
                  D. Emeliyanov   A new algorithm for fitting tracks with
                                  energy losses due to Bremsstrahlung  . . 1491--1501
                Manhui Wang and   
              Andrew J. May and   
               Peter J. Knowles   Improved version of parallel programming
                                  interface for distributed data with
                                  multiple helper servers  . . . . . . . . 1502--1506
              I. Shkarofsky and   
                     M. Shoucri   A numerical code for the calculation of
                                  relativistic electron cyclotron damping
                                  with an arbitrary distribution function
                                  at an arbitrary harmonic . . . . . . . . 1507--1517
              L. Yu. Barash and   
                   L. N. Shchur   RNGSSELIB: Program library for random
                                  number generation, SSE2 realization  . . 1518--1527
                  N. R. Badnell   A Breit--Pauli distorted wave
                                  implementation for autostructure . . . . 1528--1535
              B. Milenkovic and   
              N. Stevanovic and   
                 D. Nikezic and   
                    M. Ivanovic   Computer program Neutron\_CR-39 for
                                  simulation of neutrons from an Am--Be
                                  source and calculation of proton track
                                  profiles . . . . . . . . . . . . . . . . 1536--1542
            Christoph Horst and   
             Jürgen Reuter   CleGo: a package for automated
                                  computation of Clebsch--Gordan
                                  coefficients in tensor product
                                  representations for Lie algebras
                                  $A$--$G$ . . . . . . . . . . . . . . . . 1543--1565
            Jonathon Carter and   
                Gudrun Heinrich   SecDec: a general program for sector
                                  decomposition  . . . . . . . . . . . . . 1566--1581
                   A. Arbey and   
                    F. Mahmoudi   SuperIso Relic v3.0: a program for
                                  calculating relic density and flavour
                                  physics observables: Extension to NMSSM  1582--1583
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 182, Number 8, August, 2011

                        Jun Liu   A general method for testing validity of
                                  one-particle spectral functions  . . . . 1585--1588
                  Gang Wang and   
                  Huiyu Zhu and   
                Quanhua Sun and   
              Deliang Zhang and   
                     Kaixin Liu   An improved CE/SE scheme and its
                                  application to dilute gas-particle flows 1589--1601
                F. L. Braga and   
                  M. S. Ribeiro   Diffusion Limited Aggregation: Algorithm
                                  optimization revisited . . . . . . . . . 1602--1605
             Zhen-ran Jiang and   
                Wei-ming Yu and   
                        Ran Tao   Predicting important classes of
                                  chemokine family based on kernel method  1606--1609
                D. A. Baver and   
                 J. R. Myra and   
                  M. V. Umansky   Linear eigenvalue code for edge plasma
                                  in full tokamak X-point geometry . . . . 1610--1620
                     M. Wen and   
                A. Barnoush and   
                    K. Yokogawa   Calculation of all cubic single-crystal
                                  elastic constants from single atomistic
                                  simulation: Hydrogen effect and elastic
                                  constants of nickel  . . . . . . . . . . 1621--1625
           G. A. Panopoulos and   
            Z. A. Anastassi and   
                    T. E. Simos   A symmetric eight-step
                                  predictor-corrector method for the
                                  numerical solution of the radial
                                  Schrödinger equation and related IVPs
                                  with oscillating solutions . . . . . . . 1626--1637
             Jonathan Gross and   
             Wolfhard Janke and   
               Michael Bachmann   Massively parallelized replica-exchange
                                  simulations of polymers on GPUs  . . . . 1638--1644
                 Xiuling Hu and   
                   Luming Zhang   A compact finite difference scheme for
                                  the fourth-order fractional
                                  diffusion-wave system  . . . . . . . . . 1645--1650
              Kyle A. Wendt and   
     Joaquín E. Drut and   
             Timo A. Lähde   Toward large-scale Hybrid Monte Carlo
                                  simulations of the Hubbard model on
                                  graphics processing units  . . . . . . . 1651--1656
              Dmitrii Nabok and   
             Peter Puschnig and   
         Claudia Ambrosch-Draxl   noloco: An efficient implementation of
                                  van der Waals density functionals based
                                  on a Monte--Carlo integration technique  1657--1662
               Edward Farhi and   
          Jeffrey Goldstone and   
               David Gosset and   
                Harvey B. Meyer   A Quantum Monte Carlo method at fixed
                                  energy . . . . . . . . . . . . . . . . . 1663--1673
                  S. Badger and   
              B. Biedermann and   
                        P. Uwer   NGluon: a package to calculate one-loop
                                  multi-gluon amplitudes . . . . . . . . . 1674--1692
              Frank Tabakin and   
 Bruno Juliá-Díaz   QCWAVE --- a Mathematica quantum
                                  computer simulation update . . . . . . . 1693--1707
        A. Otero-de-la-Roza and   
     Víctor Luaña   Gibbs 2: a new version of the
                                  quasi-harmonic model code. I. Robust
                                  treatment of the static data . . . . . . 1708--1720
                   Lai Wang and   
                   Frank X. Lee   MathQCDSR: a Mathematica package for QCD
                                  sum rules calculations . . . . . . . . . 1721--1731
Özgür Çobano\uglu and   
          Erkcan Özcan and   
            Saleh Sultansoy and   
          Gökhan Ünel   OPUCEM: a library with error checking
                                  mechanism for computing oblique
                                  parameters . . . . . . . . . . . . . . . 1732--1743
  Osman Bari\cs Malcio\uglu and   
              Ralph Gebauer and   
                Dario Rocca and   
                 Stefano Baroni   turboTDDFT --- a code for the simulation
                                  of molecular spectra using the
                                  Liouville--Lanczos approach to
                                  time-dependent density-functional
                                  perturbation theory  . . . . . . . . . . 1744--1754
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 182, Number 9, September, 2011

                Alex Hansen and   
              Asle Sudbò   Preface  . . . . . . . . . . . . . . . . 1755--1755
                Kihyeon Cho and   
               Junghyun Kim and   
                  Soo-hyeon Nam   Collider physics based on e-Science
                                  paradigm of experiment-computing-theory  1756--1759
              Volker Blobel and   
            Claus Kleinwort and   
                    Frank Meier   Fast alignment of a complex tracking
                                  detector using advanced track models . . 1760--1763
               Adam Burrows and   
             Jason Nordhaus and   
                Ann Almgren and   
                      John Bell   The potential role of spatial dimension
                                  in the neutrino-driving mechanism of
                                  core-collapse supernova explosions . . . 1764--1766
                 U. Shumlak and   
                   R. Lilly and   
                 N. Reddell and   
                   E. Sousa and   
                  B. Srinivasan   Advanced physics calculations using a
                                  multi-fluid plasma model . . . . . . . . 1767--1770
                   Xijun Yu and   
                      Di Wu and   
                         Yun Xu   Three dimensional discontinuous Galerkin
                                  methods for Euler equations on adaptive
                                  conforming meshes  . . . . . . . . . . . 1771--1775
        Jirí Jenista and   
            Hidemasa Takana and   
           Hideya Nishiyama and   
     Milada Bartlová and   
   Vladimír Aubrecht and   
                Petr Krenek and   
              Viktor Sember and   
            Alan Masláni   A comparative numerical study of
                                  hybrid-stabilized argon-water electric
                                  arc  . . . . . . . . . . . . . . . . . . 1776--1783
        Petr Jelínek and   
                Gerhard Hensler   The collisions of high-velocity clouds
                                  with the galactic halo . . . . . . . . . 1784--1789
          Evgeny Z. Liverts and   
                     Nir Barnea   $S$-states of helium-like ions . . . . . 1790--1795
         Giovanna Zilibotti and   
             Mauro Ferrario and   
        Carlo Maria Bertoni and   
             Maria Clelia Righi   Ab initio calculation of adhesion and
                                  potential corrugation of diamond (001)
                                  interfaces . . . . . . . . . . . . . . . 1796--1799
           Kristian Berland and   
        Òyvind Borck and   
                  Per Hyldgaard   Van der Waals density functional
                                  calculations of binding in molecular
                                  crystals . . . . . . . . . . . . . . . . 1800--1804
              Elisa Londero and   
         Elsebeth Schröder   Vanadium pentoxide (V$_2$O$_5$): a van
                                  der Waals density functional study . . . 1805--1809
               Asif Mushtaq and   
                Amna Noreen and   
        Kåre Olaussen and   
   Ingjald Òverbò   Very-high-precision solutions of a class
                                  of Schrödinger type equations . . . . . . 1810--1813
              Jochen Rohrer and   
                  Per Hyldgaard   Computational scheme for ab-initio
                                  predictions of chemical compositions
                                  interfaces realized by deposition growth 1814--1818
           A. Yu. Menshutin and   
                   L. N. Shchur   Morphological diagram of diffusion
                                  driven aggregate growth in plane:
                                  Competition of anisotropy and adhesion   1819--1823
         Gabriel Villalobos and   
                 Ferenc Kun and   
           Dorian L. Linero and   
    José D. Muñoz   Size distribution and waiting times for
                                  the avalanches of the Cell Network Model
                                  of Fracture  . . . . . . . . . . . . . . 1824--1827
                O. Melchert and   
                 A. K. Hartmann   A dedicated algorithm for calculating
                                  ground states for the triangular random
                                  bond Ising model . . . . . . . . . . . . 1828--1832
                  Martin Weigel   Simulating spin models on GPU  . . . . . 1833--1836
                A. Tröster   Wilson's momentum shell renormalization
                                  group from Fourier Monte Carlo
                                  simulations  . . . . . . . . . . . . . . 1837--1841
         S. González and   
             A. R. Thornton and   
                      S. Luding   An event-driven algorithm for fractal
                                  cluster formation  . . . . . . . . . . . 1842--1845
                  C. De Michele   Optimizing event-driven simulations  . . 1846--1850
          Jahir Abbas Ahmed and   
                   S. B. Santra   Rotational sandpile models: a finite
                                  size scaling study . . . . . . . . . . . 1851--1855
     Heitor C. M. Fernandes and   
                  Martin Weigel   Non-reversible Monte Carlo simulations
                                  of spin models . . . . . . . . . . . . . 1856--1859
              W. F. Oquendo and   
         J. D. Muñoz and   
                     A. Lizcano   Influence of rotations on the critical
                                  state of soil mechanics  . . . . . . . . 1860--1865
     Gerardo Iñiguez and   
           Rafael A. Barrio and   
János Kertész and   
                 Kimmo K. Kaski   Modelling opinion formation driven
                                  communities in social networks . . . . . 1866--1869
                     Osamu Sano   Flow-induced waterway in a heterogeneous
                                  granular material  . . . . . . . . . . . 1870--1874
     Leonardo Costa Ribeiro and   
       Ricardo Machado Ruiz and   
Eduardo da Motta e Albuquerque and   
    Américo T. Bernardes   The diffusion of technological knowledge
                                  through interlaced networks  . . . . . . 1875--1878
         Jacob D. Stevenson and   
                  Martin Weigel   Percolation and Schramm--Loewner
                                  evolution in the $2$D random-field Ising
                                  model  . . . . . . . . . . . . . . . . . 1879--1882
                Frank Beyer and   
                  Martin Weigel   Spin stiffness of vector spin glasses    1883--1887
                  Hiromi Otsuka   Phase transitions in square-lattice
                                  dimer model with anisotropic
                                  interactions . . . . . . . . . . . . . . 1888--1891
                   D. Wilms and   
                 A. Winkler and   
                  P. Virnau and   
                      K. Binder   Monte Carlo simulations of the 2d-Ising
                                  model in the geometry of a long stripe   1892--1895
                Ying Wai Li and   
           Thomas Wüst and   
                David P. Landau   Monte Carlo simulations of the HP model
                                  (the ``Ising model'' of protein folding) 1896--1899
              Pawel Sobczak and   
           Lukasz Kucharski and   
            Grzegorz Kamieniarz   Genetic algorithm approach to
                                  calculation of geometric configurations
                                  of $2$D clusters of uniformly charged
                                  classical particles  . . . . . . . . . . 1900--1903
             Ingve Simonsen and   
             Jacob B. Kryvi and   
        Alexei A. Maradudin and   
              Tamara A. Leskova   Light scattering from anisotropic,
                                  randomly rough, perfectly conducting
                                  surfaces . . . . . . . . . . . . . . . . 1904--1908
             Malihe Ghodrat and   
               Afshin Montakhab   Molecular dynamics simulation of a
                                  relativistic gas: Thermostatistical
                                  properties . . . . . . . . . . . . . . . 1909--1913
               Olga Rancova and   
        Egidijus Anisimovas and   
             Tadas Varanavicius   Numerical modeling of structural
                                  transitions in few-particle confined
                                  $2$D systems . . . . . . . . . . . . . . 1914--1918
             V. Ballenegger and   
              J. J. Cerd\`a and   
                        C. Holm   Removal of spurious self-interactions in
                                  particle-mesh methods  . . . . . . . . . 1919--1923
     Przemyslaw Gawro\'nski and   
           Krzysztof Kulakowski   Crowd dynamics --- being stuck . . . . . 1924--1927
               Thomas Vogel and   
               Michael Bachmann   Adsorption of polymers at nanowires  . . 1928--1931
                 M. Florens and   
                 B. Sapoval and   
                     M. Filoche   The optimal branching asymmetry of a
                                  bidirectional distribution tree  . . . . 1932--1936
         Christoph Junghans and   
             Wolfhard Janke and   
               Michael Bachmann   Hierarchies in nucleation transitions    1937--1940
               Jens Smiatek and   
              Friederike Schmid   Mesoscopic simulations of electroosmotic
                                  flow and electrophoresis in nanochannels 1941--1944
               Daniel Reith and   
                   Peter Virnau   Monte Carlo simulations of a single
                                  polystyrene chain in spherical
                                  confinement  . . . . . . . . . . . . . . 1945--1948
                   H. Meyer and   
               N. Schulmann and   
                J. E. Zabel and   
                  J. P. Wittmer   The structure factor of dense
                                  two-dimensional polymer solutions  . . . 1949--1953
               Jon\`as Sala and   
           Elvira Gu\`ardia and   
                    Marco Masia   Improving the force matching algorithm:
                                  Application to a simple point charge
                                  flexible model of water  . . . . . . . . 1954--1957
        Shigenori Matsumoto and   
              Fumiko Takagi and   
            Takashi Shimada and   
                   Nobuyasu Ito   Molecular dynamics simulation of
                                  ribosome jam . . . . . . . . . . . . . . 1958--1960
         Monika Möddel and   
             Wolfhard Janke and   
               Michael Bachmann   Adsorption of finite polymers in
                                  different thermodynamic ensembles  . . . 1961--1965
         Viktoria Blavatska and   
                 Wolfhard Janke   $ \Theta $-polymers in crowded media
                                  under stretching force . . . . . . . . . 1966--1969
                L. Angelani and   
                 R. Di Leonardo   Numerical modeling of bacteria propelled
                                  micromotors  . . . . . . . . . . . . . . 1970--1973
              I. V. Morozov and   
             A. M. Kazennov and   
              R. G. Bystryi and   
               G. E. Norman and   
              V. V. Pisarev and   
                V. V. Stegailov   Molecular dynamics simulations of the
                                  relaxation processes in the condensed
                                  matter on GPUs . . . . . . . . . . . . . 1974--1978
              K. N. Nigussa and   
          J. A. Stòvneng   Theoretical investigation of the
                                  interaction of oxygen with pure and
                                  K-doped NiTi shape memory surface alloys 1979--1983
              Srutarshi Pradhan   Can we predict the failure point of a
                                  loaded composite material? . . . . . . . 1984--1988
                 Xizhong An and   
                 Runyu Yang and   
                 Kejun Dong and   
                      Aibing Yu   DEM study of crystallization of
                                  monosized spheres under mechanical
                                  vibrations . . . . . . . . . . . . . . . 1989--1994
          Matthias Degroote and   
           Dimitri Van Neck and   
                 Carlo Barbieri   Faddeev Random Phase Approximation for
                                  molecules  . . . . . . . . . . . . . . . 1995--1998
              M. Ögren and   
          K. V. Kheruntsyan and   
                   J. F. Corney   Stochastic simulations of fermionic
                                  dynamics with phase-space
                                  representations  . . . . . . . . . . . . 1999--2003
                   Titus A. Beu   Simulation of the flow of aqueous
                                  solutions through carbon nanotubes . . . 2004--2008
                 Joan Adler and   
            Jeremie Zaffran and   
           Amihai Silverman and   
          Anastassia Sorkin and   
                   Or Cohen and   
                    Rafi Kalish   Simulation and visualization of
                                  nanodiamond and nanographite . . . . . . 2009--2012
            A. Barasi\'nski and   
            A. Drzewi\'nski and   
                  G. Kamieniarz   Quantum effects and Haldane gap in
                                  magnetic chains with alternating
                                  anisotropy axes  . . . . . . . . . . . . 2013--2016
                M. S. Dhaka and   
                  G. Sharma and   
               M. C. Mishra and   
                K. B. Joshi and   
              R. K. Kothari and   
                   B. K. Sharma   Electron momentum density distribution
                                  in Cd$_3$P$_2$ . . . . . . . . . . . . . 2017--2020
                M. J. Wolak and   
             V. G. Rousseau and   
                 G. G. Batrouni   Pairing in population imbalanced fermion
                                  systems  . . . . . . . . . . . . . . . . 2021--2024
          Brecht Verstichel and   
          Helen van Aggelen and   
           Dimitri Van Neck and   
              Paul W. Ayers and   
               Patrick Bultinck   Variational density matrix optimization
                                  using semidefinite programming . . . . . 2025--2028
                   H. Dixit and   
                   R. Saniz and   
                  D. Lamoen and   
                    B. Partoens   Accurate pseudopotential description of
                                  the GW bandstructure of ZnO  . . . . . . 2029--2031
              Keiji Hayashi and   
           Tomoki Shiraishi and   
              Kazuho Toyoda and   
              Fumiya Tanaka and   
                 Taiga Mori and   
                    Takumi Hata   Temperature-controlled molecular
                                  dynamics study on velocity-dependent
                                  threshold behavior of dynamic
                                  nano-friction  . . . . . . . . . . . . . 2032--2035
               Michael Knap and   
            Enrico Arrigoni and   
        Wolfgang von der Linden   Polaritonic properties of the
                                  Jaynes--Cummings lattice model in two
                                  dimensions . . . . . . . . . . . . . . . 2036--2040
                   N. Attig and   
                  P. Gibbon and   
                    Th. Lippert   Trends in supercomputing: The European
                                  path to exascale . . . . . . . . . . . . 2041--2046
         Xavier Sáez and   
             Alejandro Soba and   
   Edilberto Sánchez and   
               Ralf Kleiber and   
  Francisco Castejón and   
            José M. Cela   Improvements of the particle-in-cell
                                  code EUTERPE for petascaling machines    2047--2051
              I. V. Morozov and   
                   I. A. Valuev   Automatic distributed workflow
                                  generation with GridMD library . . . . . 2052--2058
María Eugenia Castro and   
         Javier Díaz and   
  Camelia Muñoz-Caro and   
            Alfonso Niño   A uniform object-oriented solution to
                                  the eigenvalue problem for real
                                  symmetric and Hermitian matrices . . . . 2059--2064
                      N. Chetty   New modalities for scientific engagement
                                  in Africa --- the case for computational
                                  physics  . . . . . . . . . . . . . . . . 2065--2070
            Rubin H. Landau and   
             Manuel J. Paez and   
         Cristian Bordeianu and   
                   Sally Haerer   Making physics education more relevant
                                  and accessible via computation and
                                  eTextBooks . . . . . . . . . . . . . . . 2071--2075
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 182, Number 10, October, 2011

          Alexander Pletzer and   
                  H. R. Strauss   An efficient method for solving elliptic
                                  boundary element problems with
                                  application to the tokamak vacuum
                                  problem  . . . . . . . . . . . . . . . . 2077--2083
             Felipe A. Cruz and   
            Simon K. Layton and   
                    L. A. Barba   How to obtain efficient GPU kernels: An
                                  illustration using FMM & FGT algorithms   2084--2098
                 V. Roudnev and   
              Michael Cavagnero   Automatic grid construction for few-body
                                  quantum-mechanical calculations  . . . . 2099--2106
             Georg P. Engel and   
                Stefan Schaefer   Testing trivializing maps in the hybrid
                                  Monte Carlo algorithm  . . . . . . . . . 2107--2114
             Hsiao-Ping Hsu and   
                  Wolfgang Paul   A fast Monte Carlo algorithm for
                                  studying bottle-brush polymers . . . . . 2115--2121
        Tomás S. Grigera   glsim: a general library for numerical
                                  simulation . . . . . . . . . . . . . . . 2122--2131
             Hon-Cheng Wong and   
               Un-Hong Wong and   
              Xueshang Feng and   
                   Zesheng Tang   Efficient magnetohydrodynamic
                                  simulations on graphics processing units
                                  with CUDA  . . . . . . . . . . . . . . . 2132--2160
           Philipp Mertmann and   
               Denis Eremin and   
         Thomas Mussenbrock and   
       Ralf Peter Brinkmann and   
                Peter Awakowicz   Fine-sorting one-dimensional
                                  particle-in-cell algorithm with
                                  Monte--Carlo collisions on a graphics
                                  processing unit  . . . . . . . . . . . . 2161--2167
           Ralf Gamillscheg and   
              Gundolf Haase and   
        Wolfgang von der Linden   A numerical projection technique for
                                  large-scale eigenvalue problems  . . . . 2168--2173
            Matthew Shelley and   
           Nicolas Poilvert and   
           Arash A. Mostofi and   
                 Nicola Marzari   Automated quantum conductance
                                  calculations using maximally-localised
                                  Wannier functions  . . . . . . . . . . . 2174--2183
                 Dirk Reith and   
              Karl N. Kirschner   A modern workflow for force-field
                                  development --- Bridging quantum
                                  mechanics and atomistic computational
                                  models . . . . . . . . . . . . . . . . . 2184--2191
              H. S. Wiklund and   
       S. B. Lindström and   
                      T. Uesaka   Boundary condition considerations in
                                  lattice Boltzmann formulations of
                                  wetting binary fluids  . . . . . . . . . 2192--2200
                   Ling Ti Kong   Phonon dispersion measured directly from
                                  molecular dynamics simulations . . . . . 2201--2207
              Kangkang Wang and   
                Arthur R. Smith   Efficient kinematical simulation of
                                  reflection high-energy electron
                                  diffraction streak patterns for crystal
                                  surfaces . . . . . . . . . . . . . . . . 2208--2212
C. González-Ballestero and   
              L. M. Robledo and   
                  G. F. Bertsch   Numeric and symbolic evaluation of the
                                  Pfaffian of general skew-symmetric
                                  matrices . . . . . . . . . . . . . . . . 2213--2218
                  W. Frisch and   
                   H. Eberl and   
               H. Hluchá   HFOLD --- a program package for
                                  calculating two-body MSSM Higgs decays
                                  at full one-loop level . . . . . . . . . 2219--2226
           Daniel J. Sindhikara   Modular reweighting software for
                                  statistical mechanical analysis of
                                  biased equilibrium data  . . . . . . . . 2227--2231
        A. Otero-de-la-Roza and   
  David Abbasi-Pérez and   
     Víctor Luaña   Gibbs 2: a new version of the
                                  quasiharmonic model code. II. Models for
                                  solid-state thermodynamics, features and
                                  implementation . . . . . . . . . . . . . 2232--2248
                P. M. Dupuy and   
                  P. Austin and   
              G. W. Delaney and   
                  M. P. Schwarz   Pore scale definition and computation
                                  from tomography data . . . . . . . . . . 2249--2258
                      Rok Zitko   SNEG --- Mathematica package for
                                  symbolic calculations with
                                  second-quantization-operator expressions 2259--2264
        Reuben D. Budiardja and   
           Christian Y. Cardall   Parallel FFT-based Poisson solver for
                                  isolated three-dimensional systems . . . 2265--2275
                  G. Cullen and   
             J.-Ph. Guillet and   
                G. Heinrich and   
            T. Kleinschmidt and   
                   E. Pilon and   
                  T. Reiter and   
                     M. Rodgers   Golem95C: a library for one-loop
                                  integrals with complex masses  . . . . . 2276--2284
                    T. Loke and   
                     J. B. Wang   An efficient quantum circuit analyser on
                                  qubits and qudits  . . . . . . . . . . . 2285--2294
             Scott D. Berry and   
                Paul Bourke and   
                 Jingbo B. Wang   qwViz: Visualisation of quantum walks on
                                  graphs . . . . . . . . . . . . . . . . . 2295--2302
           A. V. Nesterenko and   
                      C. Simolo   QCDMAPT\_F: Fortran version of QCDMAPT
                                  package  . . . . . . . . . . . . . . . . 2303--2304
             David C. Lonie and   
                      Eva Zurek   XtalOpt version r7: An open-source
                                  evolutionary algorithm for crystal
                                  structure prediction . . . . . . . . . . 2305--2306
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 182, Number 11, November, 2011

           Trung Dac Nguyen and   
        Carolyn L. Phillips and   
         Joshua A. Anderson and   
              Sharon C. Glotzer   Rigid body constraints realized in
                                  massively-parallel molecular dynamics on
                                  graphics processing units  . . . . . . . 2307--2313
                  F. Alhama and   
            F. Marín and   
                   J. A. Moreno   An efficient and reliable model to
                                  simulate microscopic mechanical friction
                                  in the Frenkel--Kontorova-Tomlinson
                                  model  . . . . . . . . . . . . . . . . . 2314--2325
              Hui-Chin Tang and   
                  Hwapeng Chang   An exhaustive search for good 64-bit
                                  linear congruential random number
                                  generators with restricted multiplier    2326--2330
                Yuchuan Chu and   
                   Yong Cao and   
                Xiaoming He and   
                        Min Luo   Asymptotic boundary conditions with
                                  immersed finite elements for interface
                                  magnetostatic/electrostatic field
                                  problems with open boundary  . . . . . . 2331--2338
                Robert J. Hinde   QSATS: MPI-driven quantum simulations of
                                  atomic solids at zero temperature  . . . 2339--2349
           Stephan Deublein and   
              Bernhard Eckl and   
          Jürgen Stoll and   
         Sergey V. Lishchuk and   
   Gabriela Guevara-Carrion and   
             Colin W. Glass and   
            Thorsten Merker and   
         Martin Bernreuther and   
                 Hans Hasse and   
                  Jadran Vrabec   ms 2: a molecular simulation tool for
                                  thermodynamic properties . . . . . . . . 2350--2367
                  G. Cullen and   
             M. Koch-Janusz and   
                      T. Reiter   spinney: a Form library for helicity
                                  spinors  . . . . . . . . . . . . . . . . 2368--2387
                 Ryan Gavin and   
                      Ye Li and   
            Frank Petriello and   
               Seth Quackenbush   FEWZ 2.0: a code for hadronic $Z$
                                  production at next-to-next-to-leading
                                  order  . . . . . . . . . . . . . . . . . 2388--2403
                Claude Duhr and   
                  Benjamin Fuks   A superspace module for the FeynRules
                                  package  . . . . . . . . . . . . . . . . 2404--2426
                 A. van Hameren   OneLOop: For the evaluation of one-loop
                                  scalar functions . . . . . . . . . . . . 2427--2438
                 Sam J. Cipolla   ISICS2011, an updated version of ISICS:
                                  a program for calculation K-, L-, and
                                  M-shell cross sections from PWBA and
                                  ECPSSR theories using a personal
                                  computer . . . . . . . . . . . . . . . . 2439--2440
                J. M. Badia and   
              J. L. Movilla and   
             J. I. Climente and   
                M. Castillo and   
          M. Marqués and   
                    R. Mayo and   
 E. S. Quintana-Ortí and   
                   J. Planelles   A parallel solver for huge dense linear
                                  systems  . . . . . . . . . . . . . . . . 2441--2442
               Jon\`as Sala and   
           Elvira Gu\`ardia and   
                    Marco Masia   Erratum to ``Improving the force
                                  matching algorithm: Application to a
                                  simple point charge flexible model of
                                  water'' [Comput. Phys. Comm. \bf 182 (9)
                                  (2011) 1954--1957] . . . . . . . . . . . 2443--2443
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 182, Number 12, December, 2011

               A. Frezzotti and   
             G. P. Ghiroldi and   
                     L. Gibelli   Solving the Boltzmann equation on GPUs   2445--2453
                Heiko Bauke and   
            Christoph H. Keitel   Accelerating the Fourier split operator
                                  method via graphics processing units . . 2454--2463
              Akbar Mohebbi and   
                  Zohreh Asgari   Efficient numerical algorithms for the
                                  solution of ``good'' Boussinesq equation
                                  in water wave propagation  . . . . . . . 2464--2470
J. E. Macías-Díaz   Sufficient conditions for the
                                  preservation of the boundedness in a
                                  numerical method for a physical model
                                  with transport memory and nonlinear
                                  damping  . . . . . . . . . . . . . . . . 2471--2478
        Adrian Alexandrescu and   
       José R. Salgueiro   Efficient numerical method for linear
                                  stability analysis of solitary waves . . 2479--2485
                  Jiyong Li and   
                   Bin Wang and   
                  Xiong You and   
                     Xinyuan Wu   Two-step extended RKN methods for
                                  oscillatory systems  . . . . . . . . . . 2486--2507
                   I. Silin and   
                      R. Sydora   Hybrid Fourier--Vlasov simulation in
                                  non-inertial reference frames  . . . . . 2508--2518
              Mehdi Dehghan and   
                  Ameneh Taleei   A Chebyshev pseudospectral multidomain
                                  method for the soliton solution of
                                  coupled nonlinear Schrödinger equations   2519--2529
          Jürgen Rubow and   
                     Ulli Wolff   A factorization algorithm to compute
                                  Pfaffians  . . . . . . . . . . . . . . . 2530--2532
                  A. Odrzywolek   Gaussian integration with rescaling of
                                  abscissas and weights  . . . . . . . . . 2533--2539
              Mehdi Dehghan and   
                  Rezvan Salehi   The solitary wave solution of the
                                  two-dimensional regularized long-wave
                                  equation in fluids and plasmas . . . . . 2540--2549
           Andreas Kleefeld and   
                    Tzu-Chu Lin   The nonlinear Landweber method applied
                                  to an inverse scattering problem for
                                  sound-soft obstacles in $3$D . . . . . . 2550--2560
               Michal Meres and   
                  Ivan Melo and   
       Boris Tomásik and   
      Vladimír Balek and   
   Vladimír Cerný   Generating heavy particles with energy
                                  and momentum conservation  . . . . . . . 2561--2566
    Didier Sébilleau and   
            Calogero Natoli and   
           George M. Gavaza and   
               Haifeng Zhao and   
           Fabiana Da Pieve and   
                 Keisuke Hatada   MsSpec-1.0: a multiple scattering
                                  package for electron spectroscopies in
                                  material science . . . . . . . . . . . . 2567--2579
           David D. Jenkins and   
            Gregory D. Peterson   AESS: Accelerated Exact Stochastic
                                  Simulation . . . . . . . . . . . . . . . 2580--2586
              G. J. Ackland and   
                K. D'Mellow and   
          S. L. Daraszewicz and   
              D. J. Hepburn and   
                   M. Uhrin and   
                   K. Stratford   The MOLDY short-range molecular dynamics
                                  package  . . . . . . . . . . . . . . . . 2587--2604
                 P. Bechtle and   
                   O. Brein and   
              S. Heinemeyer and   
                G. Weiglein and   
                 K. E. Williams   HiggsBounds 2.0.0: Confronting neutral
                                  and charged Higgs sector predictions
                                  with exclusion bounds from LEP and the
                                  Tevatron . . . . . . . . . . . . . . . . 2605--2631
                      Zi Li and   
                   Xu Zhang and   
                        Gang Lu   A Fortran program for calculating
                                  electron or hole mobility in disordered
                                  semiconductors from first-principles . . 2632--2637
                Ozlem Ozgun and   
        Gökhan Apaydin and   
           Mustafa Kuzuoglu and   
                   Levent Sevgi   PETOOL: Matlab-based one-way and two-way
                                  split-step parabolic equation tool for
                                  radiowave propagation over variable
                                  terrain  . . . . . . . . . . . . . . . . 2638--2654
              Jiahang Zhong and   
            Run-Sheng Huang and   
                 Shih-Chang Lee   A program for the Bayesian Neural
                                  Network in the ROOT framework  . . . . . 2655--2660
        Eduardo X. Miqueles and   
            Alvaro R. De Pierro   C-library raft: Reconstruction
                                  algorithms for tomography. Applications
                                  to X-ray fluorescence tomography . . . . 2661--2673
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??


Computer Physics Communications
Volume 183, Number 1, January, 2012

          Matthew G. Reuter and   
             Judith C. Hill and   
             Robert J. Harrison   Solving PDEs in irregular geometries
                                  with multiresolution methods I: Embedded
                                  Dirichlet boundary conditions  . . . . . 1--7
            Nobuya Maeshima and   
                  Ken-ichi Hino   Parallelization of the R-matrix
                                  propagation method for the study of
                                  intense-laser-driven semiconductor
                                  superlattices  . . . . . . . . . . . . . 8--14
                  Zhijie Xu and   
                  Hai Huang and   
                  Xiaoyi Li and   
                    Paul Meakin   Phase field and level set methods for
                                  modeling solute precipitation and/or
                                  dissolution  . . . . . . . . . . . . . . 15--19
                     S. Kaprzyk   An algebraic formulation of the simplex
                                  linear method for multiple integrals
                                  over the $d$-dimensional domain  . . . . 20--25
                  Filip A. Sala   Mobile phone as a platform for numerical
                                  simulation . . . . . . . . . . . . . . . 26--29
            Chuan-Hui Zhang and   
                  Qiong Ran and   
                     Jiang Shen   Structural stability of silicene-like
                                  nanotubes  . . . . . . . . . . . . . . . 30--33
                Y. Nakamura and   
             K.-I. Ishikawa and   
               Y. Kuramashi and   
                 T. Sakurai and   
                      H. Tadano   Modified block BiCGSTAB for lattice QCD  34--37
         Nicolas Bigaouette and   
               Edward Ackad and   
                   Lora Ramunno   Nonlinear grid mapping applied to an
                                  FDTD-based, multi-center $3$D Schrödinger
                                  equation solver  . . . . . . . . . . . . 38--45
              Jiantong Weng and   
        Tomoyoshi Shimobaba and   
              Minoru Oikawa and   
            Nobuyuki Masuda and   
                  Tomoyoshi Ito   Fast recurrence relation for
                                  computer-generated-hologram  . . . . . . 46--49
                  Tao Jiang and   
                 Jie Ouyang and   
               Jin-Lian Ren and   
               Bin-Xin Yang and   
                   Xiao-Yang Xu   A mixed corrected symmetric SPH
                                  (MC--SSPH) method for computational
                                  dynamic problems . . . . . . . . . . . . 50--62
                   L. Gr. Ixaru   Runge--Kutta method with equation
                                  dependent coefficients . . . . . . . . . 63--69
                   J. Waltz and   
                 T. A. Gianakon   A comparison of mix models for the
                                  Rayleigh--Taylor instability . . . . . . 70--79
             Roberto Barrio and   
    Marcos Rodríguez and   
                 Fernando Blesa   Computer-assisted proof of skeletons of
                                  periodic orbits  . . . . . . . . . . . . 80--85
               Zhaoxia Chen and   
                  Xiong You and   
                    Wei Shi and   
                    Zhongli Liu   Symmetric and symplectic ERKN methods
                                  for oscillatory Hamiltonian systems  . . 86--98
                     M. S. Reis   Models for one-dimensional molecular
                                  magnets  . . . . . . . . . . . . . . . . 99--105
                  Yezhi Lin and   
                Yinping Liu and   
                      Zhibin Li   Symbolic computation of analytic
                                  approximate solutions for nonlinear
                                  differential equations with initial
                                  conditions . . . . . . . . . . . . . . . 106--117
        Jaros\law Adam Miszczak   Generating and using truly random
                                  quantum states in Mathematica  . . . . . 118--124
          Valerio Novaresio and   
María García-Camprubí and   
         Salvador Izquierdo and   
             Pietro Asinari and   
                 Norberto Fueyo   An open-source library for the numerical
                                  modeling of mass-transfer in solid oxide
                                  fuel cells . . . . . . . . . . . . . . . 125--146
             Guillem Carles and   
               Carme Ferran and   
             Artur Carnicer and   
                 Salvador Bosch   Design and implementation of a
                                  scene-dependent dynamically
                                  selfadaptable wavefront coding imaging
                                  system . . . . . . . . . . . . . . . . . 147--154
    Beat Röthlisberger and   
          Jörg Lehmann and   
                    Daniel Loss   libCreme: An optimization library for
                                  evaluating convex-roof entanglement
                                  measures . . . . . . . . . . . . . . . . 155--165
                 N. Schunck and   
             J. Dobaczewski and   
               J. McDonnell and   
                  W. Satula and   
               J. A. Sheikh and   
               A. Staszczak and   
                M. Stoitsov and   
                    P. Toivanen   Solution of the
                                  Skyrme--Hartree--Fock--Bogolyubov
                                  equations in the Cartesian deformed
                                  harmonic-oscillator basis.: (VII) \tt
                                  hfodd (v2.49t): a new version of the
                                  program  . . . . . . . . . . . . . . . . 166--192
             N. D. Gagunashvili   CHICOM: a code of tests for comparing
                                  unweighted and weighted histograms and
                                  two weighted histograms  . . . . . . . . 193--196
                    A. E. Botha   General $R$-matrix approach for
                                  integrating the multiband $ k \cdot p $
                                  equation in layered semiconductor
                                  structures . . . . . . . . . . . . . . . 197--202
        Xevi Biarnés and   
            Fabio Pietrucci and   
         Fabrizio Marinelli and   
                Alessandro Laio   METAGUI. A VMD interface for analyzing
                                  metadynamics and molecular dynamics
                                  simulations  . . . . . . . . . . . . . . 203--211
                      Anonymous   Computer Physics Communications --- List
                                  of Editors . . . . . . . . . . . . . . . iv--vi
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 183, Number 2, February, 2012

                Andrzej Daniluk   Visual modeling for scientific software
                                  architecture design. A practical
                                  approach . . . . . . . . . . . . . . . . 213--230
             Carlos A. Jara and   
        Francisco Esquembre and   
         Wolfgang Christian and   
      Francisco A. Candelas and   
            Fernando Torres and   
       Sebastián Dormido   A new $3$D visualization Java framework
                                  based on physics principles  . . . . . . 231--244
Luciano M. de Andrade Filho and   
José Manoel de Seixas and   
   Roberto Agostino Vitillo and   
            Brian Thomas Martin   Three-dimensional event visualization
                                  for the ATLAS calorimeter  . . . . . . . 245--250
                 K. Roeller and   
             S. Herminghaus and   
              A. Hager-Fingerle   Sinusoidal shaking in event-driven
                                  simulations  . . . . . . . . . . . . . . 251--260
                 Yubao Zhen and   
                  Chengbiao Chu   A deformation-fluctuation hybrid method
                                  for fast evaluation of elastic constants
                                  with many-body potentials  . . . . . . . 261--265
       S. A. Galindo-Torres and   
              D. M. Pedroso and   
             D. J. Williams and   
                          L. Li   Breaking processes in three-dimensional
                                  bonded granular materials with general
                                  shapes . . . . . . . . . . . . . . . . . 266--277
                   Yong Gan and   
                     J. K. Chen   A hybrid method for integrated
                                  atomistic-continuum simulation of
                                  ultrashort-pulsed laser interaction with
                                  semiconductors . . . . . . . . . . . . . 278--284
                F. Mahmoudi and   
              S. Heinemeyer and   
                   A. Arbey and   
                A. Bharucha and   
                    T. Goto and   
                    T. Hahn and   
                  U. Haisch and   
                   S. Kraml and   
             M. Muhlleitner and   
                  J. Reuter and   
                  P. Skands and   
                     P. Slavich   Flavour Les Houches Accord: Interfacing
                                  flavour related codes  . . . . . . . . . 285--298
              Georg Bergner and   
               Ja\"\ir Wuilloud   Acceleration of the Arnoldi method and
                                  real eigenvalues of the non-Hermitian
                                  Wilson--Dirac operator . . . . . . . . . 299--304
                 R. Kleiber and   
                      R. Hatzky   A partly matrix-free solver for the
                                  gyrokinetic field equation in
                                  three-dimensional geometry . . . . . . . 305--308
                 Xuesong Li and   
                         Lin Ma   Minimizing binary functions with
                                  simulated annealing algorithm with
                                  applications to binary tomography  . . . 309--315
                Mingzhe Liu and   
                Xianguo Tuo and   
                     Zhe Li and   
                Jianbo Yang and   
                       Yang Gao   Asymmetric exclusion process for
                                  modeling of information flow . . . . . . 316--319
    Aleksander Stanislavsky and   
                   Karina Weron   Numerical scheme for calculating of the
                                  fractional two-power relaxation laws in
                                  time-domain of measurements  . . . . . . 320--323
            P. M. C. Rourke and   
                   S. R. Julian   Numerical extraction of de Haas--van
                                  Alphen frequencies from calculated band
                                  energies . . . . . . . . . . . . . . . . 324--332
                 Ben-Hao Sa and   
               Dai-Mei Zhou and   
               Yu-Liang Yan and   
                Xiao-Mei Li and   
             Sheng-Qin Feng and   
               Bao-Guo Dong and   
                         Xu Cai   PACIAE 2.0: An updated parton and hadron
                                  cascade model (program) for the
                                  relativistic nuclear collisions  . . . . 333--346
                     S. Kaprzyk   An algebraic formulation and
                                  implementation of the tetrahedron linear
                                  method for the Brillouin zone
                                  integration of spectral functions  . . . 347--362
                T. Hynninen and   
                 C. L. Dias and   
               A. Mkrtchyan and   
                V. Heinonen and   
               M. Karttunen and   
               A. S. Foster and   
                 T. Ala-Nissila   A molecular dynamics implementation of
                                  the $3$D Mercedes--Benz water model  . . 363--369
          Ulrich Hohenester and   
           Andreas Trügler   MNPBEM --- a Matlab toolbox for the
                                  simulation of plasmonic nanoparticles    370--381
           Joseph E. Curtis and   
         Sindhu Raghunandan and   
                Hirsh Nanda and   
                  Susan Krueger   SASSIE: a program to study intrinsically
                                  disordered biological molecules and
                                  macromolecular ensembles using
                                  experimental scattering restraints . . . 382--389
           Dennis M. Elking and   
              Lalith Perera and   
                Lee G. Pedersen   HPAM: Hirshfeld partitioned atomic
                                  multipoles . . . . . . . . . . . . . . . 390--397
                Matej Batic and   
           Maria Grazia Pia and   
                 Sam J. Cipolla   ISICSoo: a class for the calculation of
                                  ionization cross sections from ECPSSR
                                  and PWBA theory  . . . . . . . . . . . . 398--404
           Christian Clason and   
            Gregory von Winckel   A general spectral method for the
                                  numerical simulation of one-dimensional
                                  interacting fermions . . . . . . . . . . 405--417
             N. D. Gagunashvili   CHIWEI: a code of goodness of fit tests
                                  for weighted and unweighted histograms   418--421
    Dominik Stöckinger and   
                  Philipp Varso   FeynArts model file for MSSM transition
                                  counterterms from DREG to DRED . . . . . 422--430
      Sami Heinäsmäki   IONIS: Approximate atomic
                                  photoionization intensities  . . . . . . 431--437
                 Paolo Barletta   COOL: a code for Dynamic Monte Carlo
                                  Simulation of molecular dynamics . . . . 438--439
               Kwang Jin Oh and   
               Ji Hoon Kang and   
                  Hun Joo Myung   mm\_par2.0: An object-oriented molecular
                                  dynamics simulation program parallelized
                                  using a hierarchical scheme with MPI and
                                  OPENMP . . . . . . . . . . . . . . . . . 440--441
              Xian-You Wang and   
                   Xing-Gang Wu   A trick to improve the efficiency of
                                  generating unweighted $ B c $ events
                                  from BCVEGPY . . . . . . . . . . . . . . 442--445
              Min Hyung Cho and   
                        Wei Cai   Revision of wFMM --- a Wideband Fast
                                  Multipole Method for the two-dimensional
                                  complex Helmholtz equation . . . . . . . 446--447
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 183, Number 3, March, 2012

           W. Michael Brown and   
             Axel Kohlmeyer and   
         Steven J. Plimpton and   
          Arnold N. Tharrington   Implementing molecular dynamics on
                                  hybrid high performance computers ---
                                  Particle--particle particle--mesh  . . . 449--459
                        T. Hahn   The high-energy physicist's guide to
                                  MathLink . . . . . . . . . . . . . . . . 460--469
                A. A. Kosti and   
            Z. A. Anastassi and   
                    T. E. Simos   An optimized explicit
                                  Runge--Kutta--Nyström method for the
                                  numerical solution of orbital and
                                  related periodical initial value
                                  problems . . . . . . . . . . . . . . . . 470--479
                  C. Espejo and   
                  T. Rangel and   
                Y. Pouillon and   
               A. H. Romero and   
                       X. Gonze   Wannier functions approach to van der
                                  Waals interactions in ABINIT . . . . . . 480--485
           Manamohan Prusty and   
              Jia Ning Leaw and   
           Shan Shang Chong and   
                Siew Ann Cheong   Stochastic boundary conditions for
                                  grand-canonical-like molecular dynamics
                                  simulations of open systems  . . . . . . 486--496
            Grady Schofield and   
       James R. Chelikowsky and   
                    Yousef Saad   A spectrum slicing method for the
                                  Kohn--Sham problem . . . . . . . . . . . 497--505
           U. D. Jentschura and   
               E. Lötstedt   Numerical calculation of Bessel, Hankel
                                  and Airy functions . . . . . . . . . . . 506--519
                    A. Gray and   
                 I. Bethune and   
                  R. Kenway and   
                   L. Smith and   
                   M. Guest and   
                 C. Kitchen and   
                 P. Calleja and   
               A. Korzynski and   
                  S. Rankin and   
                M. Ashworth and   
                  A. Porter and   
                 I. Todorov and   
                 M. Plummer and   
                   E. Jones and   
          L. Steenman-Clark and   
                 B. Ralston and   
                    C. Laughton   Mapping application performance to HPC
                                  architecture . . . . . . . . . . . . . . 520--529
                    A. Kopp and   
           I. Büsching and   
              R. D. Strauss and   
                M. S. Potgieter   A stochastic differential equation code
                                  for multidimensional Fokker--Planck type
                                  problems . . . . . . . . . . . . . . . . 530--542
                  S. Ihnatsenka   Computation of electron quantum
                                  transport in graphene nanoribbons using
                                  GPU  . . . . . . . . . . . . . . . . . . 543--546
              Qiao-Hong Sui and   
             Zhong-Jun Ding and   
                  Rui Jiang and   
                  Wei Huang and   
                    Duo Sun and   
                 Bing-Hong Wang   Slow-to-start effect in two-dimensional
                                  traffic flow . . . . . . . . . . . . . . 547--551
                Shu-Sen Xie and   
                Su-Cheol Yi and   
                    Tae In Kwon   Fourth-order compact difference and
                                  alternating direction implicit schemes
                                  for telegraph equations  . . . . . . . . 552--569
          Andrei Bourchtein and   
             Ludmila Bourchtein   A semi-implicit time-splitting scheme
                                  for a regional nonhydrostatic
                                  atmospheric model  . . . . . . . . . . . 570--587
                Chunye Gong and   
                    Jie Liu and   
               Haowei Huang and   
                   Zhenghu Gong   Particle transport with unstructured
                                  grid on GPU  . . . . . . . . . . . . . . 588--593
                B. Roostaei and   
                   W. C. Ermler   Electric dipole transition moments and
                                  permanent dipole moments for spin-orbit
                                  configuration interaction wave functions 594--599
                 Ram Jiwari and   
               Sapna Pandit and   
                   R. C. Mittal   Numerical simulation of two-dimensional
                                  sine--Gordon solitons by differential
                                  quadrature method  . . . . . . . . . . . 600--616
      Jan L. Cie\'sli\'nski and   
            Boguslaw Ratkiewicz   Discrete gradient algorithms of high
                                  order for one-dimensional systems  . . . 617--627
            Lorenzo Pardini and   
            Valerio Bellini and   
              Franca Manghi and   
         Claudia Ambrosch-Draxl   First-principles calculation of X-ray
                                  dichroic spectra within the
                                  full-potential linearized augmented
                                  planewave method: An implementation into
                                  the Wien2k code  . . . . . . . . . . . . 628--636
                   R. Ramis and   
                 K. Eidmann and   
          J. Meyer-ter-Vehn and   
                 S. Hüller   MULTI-fs --- a computer code for
                                  laser-plasma interaction in the
                                  femtosecond regime . . . . . . . . . . . 637--655
   Aldée Charbonnier and   
       Céline Combet and   
                   David Maurin   clumpy: a code for $ \gamma $-ray
                                  signals from dark matter structures  . . 656--668
         I. O. Bespamyatnov and   
                W. L. Rowan and   
                     K. T. Liao   ALCBEAM --- Neutral beam formation and
                                  propagation code for beam-based plasma
                                  diagnostics  . . . . . . . . . . . . . . 669--676
            Gundra Kondayya and   
                    Alok Shukla   A Fortran 90 Hartree--Fock program for
                                  one-dimensional periodic $ \pi
                                  $-conjugated systems using
                                  Pariser--Parr--Pople model . . . . . . . 677--689
             David C. Lonie and   
                      Eva Zurek   Identifying duplicate crystal
                                  structures: XtalComp, an open-source
                                  solution . . . . . . . . . . . . . . . . 690--697
             T. C. Petersen and   
                   S. P. Ringer   Local electron tomography using angular
                                  variations of surface tangents: Stomo
                                  version 2  . . . . . . . . . . . . . . . 698--704
                  A. Babaev and   
               Yu. L. Pivovarov   Resonant coherent excitation of
                                  hydrogen-like ions planar channeled in a
                                  crystal: Transition into the first
                                  excited state  . . . . . . . . . . . . . 705--710
               Dean Lambert and   
       Alasdair C. Hamilton and   
           George Constable and   
            Harsh Snehanshu and   
             Sharvil Talati and   
              Johannes Courtial   TIM, a ray-tracing program for METATOY
                                  research and its dissemination . . . . . 711--732
                  A. V. Nikitin   An efficient code for calculation of the
                                  6$C$, 9$C$ and 12$C$ symbols for $
                                  C_{3v} $, $ T_d $, and $ O_h $ point
                                  groups . . . . . . . . . . . . . . . . . 733--736
Bruno Juliá-Díaz and   
              Tobias Graß   Strongdeco: Expansion of analytical,
                                  strongly correlated quantum states into
                                  a many-body basis  . . . . . . . . . . . 737--745
          Mikolaj Chojnacki and   
                Adam Kisiel and   
        Wojciech Florkowski and   
            Wojciech Broniowski   THERMINATOR 2: THERMal heavy I o N gener
                                  ATOR 2 . . . . . . . . . . . . . . . . . 746--773
               Debottam Das and   
           Ulrich Ellwanger and   
                Ana M. Teixeira   NMSDECAY: a Fortran code for
                                  supersymmetric particle decays in the
                                  Next-to-Minimal Supersymmetric Standard
                                  Model  . . . . . . . . . . . . . . . . . 774--779
             Thomas Fischbacher   Numerical tools to validate stationary
                                  points of $ {\rm SO}(8) $-gauged $ N = 8
                                  $, $ D = 4 $ supergravity  . . . . . . . 780--784
             B. C. Allanach and   
                  C. H. Kom and   
                    M. Hanussek   Computation of neutrino masses in
                                  $R$-parity violating supersymmetry:
                                  SOFTSUSY3.2  . . . . . . . . . . . . . . 785--793
                 Amparo Gil and   
              Javier Segura and   
                  Nico M. Temme   An improved algorithm and a Fortran 90
                                  module for computing the conical
                                  function $ p^m_{1 / 2 + i \tau }(x) $    794--799
             Tomasz Dziubak and   
               Jacek Matulewski   An object-oriented implementation of a
                                  solver of the time-dependent Schrödinger
                                  equation using the CUDA technology . . . 800--812
               Stefan Weinzierl   The SISCone jet algorithm optimised for
                                  low particle multiplicities  . . . . . . 813--820
                N. Davidson and   
                  G. Nanava and   
           T. Przedzi\'nski and   
           E. Richter-W\kas and   
                       Z. W\kas   Universal interface of TAUOLA: Technical
                                  and physics documentation  . . . . . . . 821--843
          Evgeny Z. Liverts and   
                     Nir Barnea   $S$-states of helium-like ions . . . . . 844--845
               Daniel Ma\^\itre   Extension of HPL to complex arguments    846--846
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 183, Number 4, April, 2012

             Juraci P. Reis and   
           Artur F. Menezes and   
          Edmilson M. Souza and   
          Alessandro Facure and   
     Jose A. C. C. Medeiros and   
                Ademir X. Silva   Dose optimization in $^{125I}$ permanent
                                  prostate seed implants using the Monte
                                  Carlo method . . . . . . . . . . . . . . 847--852
                  C. Bonati and   
                   G. Cossu and   
                  M. D'Elia and   
                   P. Incardona   QCD simulations with staggered fermions
                                  on GPUs  . . . . . . . . . . . . . . . . 853--863
        Francisco de la Hoz and   
               Fernando Vadillo   Numerical simulation of the
                                  $N$-dimensional sine--Gordon equation
                                  via operational matrices . . . . . . . . 864--879
             Mathias Winkel and   
               Robert Speck and   
          Helge Hübner and   
               Lukas Arnold and   
                Rolf Krause and   
                    Paul Gibbon   A massively parallel, multi-disciplinary
                                  Barnes--Hut tree code for extreme-scale
                                  $N$-body simulations . . . . . . . . . . 880--889
              Nathan Schmid and   
            Clara D. Christ and   
            Markus Christen and   
    Andreas P. Eichenberger and   
       Wilfred F. van Gunsteren   Architecture, implementation and
                                  parallelisation of the GROMOS software
                                  for biomolecular simulation  . . . . . . 890--903
 Cristóbal Bertoglio and   
            Boris N. Khoromskij   Low-rank quadrature-based tensor
                                  approximation of the Galerkin projected
                                  Newton/Yukawa kernels  . . . . . . . . . 904--912
             Feng-Gong Lang and   
                   Xiao-Ping Xu   Quintic B-spline collocation method for
                                  second order mixed boundary value
                                  problem  . . . . . . . . . . . . . . . . 913--921
                    F. Merz and   
                  C. Kowitz and   
                  E. Romero and   
                J. E. Roman and   
                       F. Jenko   Multi-dimensional gyrokinetic parameter
                                  studies based on eigenvalue computations 922--930
                  V. Ogarko and   
                      S. Luding   A fast multilevel algorithm for contact
                                  detection of arbitrarily polydisperse
                                  objects  . . . . . . . . . . . . . . . . 931--936
              S. Kucherenko and   
               S. Tarantola and   
                      P. Annoni   Estimation of global sensitivity indices
                                  for models with dependent variables  . . 937--946
               J. Seebacher and   
                       A. Kendl   Towards a unified linear kinetic
                                  transport model with the trace ion
                                  module for EIRENE  . . . . . . . . . . . 947--959
                 A. Buckley and   
                 A. Shilton and   
                    M. J. White   Fast supersymmetry phenomenology at the
                                  Large Hadron Collider using machine
                                  learning techniques  . . . . . . . . . . 960--970
              M. Fitzgerald and   
                     J. Khachan   A $2$-D PIC/MC/Vlasov method for
                                  electrostatic fusion discharges  . . . . 971--979
              Eiji Tsuchida and   
                 Yoong-Kee Choe   Iterative diagonalization of symmetric
                                  matrices in mixed precision and its
                                  application to electronic structure
                                  calculations . . . . . . . . . . . . . . 980--985
            Christian Ringl and   
            Herbert M. Urbassek   A LAMMPS implementation of granular
                                  mechanics: Inclusion of adhesive and
                                  microscopic friction forces  . . . . . . 986--992
                   C. A. Duarte   Compact expressions for the
                                  magnetoresistance and the electron/hole
                                  density of states under the application
                                  of magnetic fields . . . . . . . . . . . 993--997
             Yueh-Cheng Kuo and   
            Shih-Feng Shieh and   
                  Weichung Wang   Rotational quotient procedure: a
                                  tracking control continuation method for
                                  PDEs on radially symmetric domains . . . 998--1001
                   M. Hirai and   
                      S. Kumano   Numerical solution of $ Q^2 $ evolution
                                  equations for fragmentation functions    1002--1013
              Shigeru Odaka and   
             Yoshimasa Kurihara   GR@PPA 2.8: Initial-state jet matching
                                  for weak-boson production processes at
                                  hadron collisions  . . . . . . . . . . . 1014--1028
                R. J. Casperson   IBAR: Interacting boson model
                                  calculations for large system sizes  . . 1029--1035
        M. Kachelrieß and   
             S. Ostapchenko and   
                     R. Tom\`as   ELMAG: a Monte Carlo simulation of
                                  electromagnetic cascades on the
                                  extragalactic background light and in
                                  magnetic fields  . . . . . . . . . . . . 1036--1043
                   K. T. Vu and   
            G. F. Jefferson and   
                   J. Carminati   Finding higher symmetries of
                                  differential equations using the Maple
                                  package DESOLVII . . . . . . . . . . . . 1044--1054
               I. V. Grossu and   
                  C. Besliu and   
                   Al. Jipa and   
                    E. Stan and   
                   T. Esanu and   
                   D. Felea and   
                C. C. Bordeianu   Code C# for chaos analysis of
                                  relativistic many-body systems with
                                  reactions  . . . . . . . . . . . . . . . 1055--1059
               Tobias Huber and   
               Daniel Ma\^\itre   HypExp 2, expanding hypergeometric
                                  functions about half-integer parameters  1060--1060
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 183, Number 5, May, 2012

          Stefano Tarantola and   
             William Becker and   
                     Dirk Zeitz   A comparison of two sampling methods for
                                  global sensitivity analysis  . . . . . . 1061--1072
                 Omar Awile and   
Ferit Büyükkeçeci and   
             Sylvain Reboux and   
              Ivo F. Sbalzarini   Fast neighbor lists for
                                  adaptive-resolution particle simulations 1073--1081
                 Yiqiang Xu and   
                   Luming Zhang   Alternating direction implicit method
                                  for solving two-dimensional cubic
                                  nonlinear Schrödinger equation  . . . . . 1082--1093
             Takayuki Umeda and   
          Yasuhiro Nariyuki and   
                  Daichi Kariya   A non-oscillatory and conservative
                                  semi-Lagrangian scheme with
                                  fourth-degree polynomial interpolation
                                  for solving the Vlasov equation  . . . . 1094--1100
                   Omar Ramadan   Unified matrix-exponential FDTD
                                  formulations for modeling electrically
                                  and magnetically dispersive materials    1101--1106
                A. Bierwage and   
                C. Di Troia and   
               S. Briguglio and   
                        G. Vlad   Orbit-based representation of
                                  equilibrium distribution functions for
                                  low-noise initialization of kinetic
                                  simulations of toroidal plasmas  . . . . 1107--1123
        Tomoyoshi Shimobaba and   
              Jiantong Weng and   
           Takahiro Sakurai and   
              Naohisa Okada and   
         Takashi Nishitsuji and   
               Naoki Takada and   
            Atsushi Shiraki and   
            Nobuyuki Masuda and   
                  Tomoyoshi Ito   Computational wave optics library for
                                  C++: CWO++ library . . . . . . . . . . . 1124--1138
                  C. Voglis and   
          K. E. Parsopoulos and   
         D. G. Papageorgiou and   
              I. E. Lagaris and   
                 M. N. Vrahatis   MEMPSODE: a global optimization software
                                  based on hybridization of
                                  population-based algorithms and local
                                  searches . . . . . . . . . . . . . . . . 1139--1154
                      Anonymous   Editorial Board  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 183, Number 6, June, 2012

                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
            Yukihiro Komura and   
                   Yutaka Okabe   GPU-based Swendsen--Wang multi-cluster
                                  algorithm for the simulation of
                                  two-dimensional classical spin systems   1155--1161
               Wanjie Xiong and   
                  Fan Zhong and   
                   Shuangli Fan   Positive specific-heat critical exponent
                                  of a three-dimensional three-state
                                  random-bond Potts model  . . . . . . . . 1162--1171
                Fengshun Lu and   
              Junqiang Song and   
                 Fukang Yin and   
                   Xiaoqian Zhu   Performance evaluation of hybrid
                                  programming patterns for large CPU/GPU
                                  heterogeneous clusters . . . . . . . . . 1172--1181
                 D. Melazzi and   
                 D. Curreli and   
                 M. Manente and   
                J. Carlsson and   
                     D. Pavarin   SPIREs: a Finite-Difference
                                  Frequency-Domain electromagnetic solver
                                  for inhomogeneous magnetized plasma
                                  cylinders  . . . . . . . . . . . . . . . 1182--1191
                Xingang Ren and   
             Zhixiang Huang and   
               Xianliang Wu and   
                  Silong Lu and   
                   Hui Wang and   
                     Lei Wu and   
                        Shen Li   High-order unified symplectic FDTD
                                  scheme for the metamaterials . . . . . . 1192--1200
     Céline Degrande and   
                Claude Duhr and   
              Benjamin Fuks and   
          David Grellscheid and   
          Olivier Mattelaer and   
                  Thomas Reiter   UFO --- the Universal FeynRules Output   1201--1214
              C. Alexandrou and   
          K. Hadjiyiannakou and   
                 G. Koutsou and   
                  A. O'Cais and   
                 A. Strelchenko   Evaluation of fermion loops applied to
                                  the calculation of the $ \eta ' $ mass
                                  and the nucleon scalar and
                                  electromagnetic form factors . . . . . . 1215--1224
                  K.-M. Lin and   
                 C.-T. Hung and   
                F.-N. Hwang and   
                M. R. Smith and   
                 Y.-W. Yang and   
                       J.-S. Wu   Development of a parallel semi-implicit
                                  two-dimensional plasma fluid modeling
                                  code using finite-volume method  . . . . 1225--1236
           Janis Timoshenko and   
              Alexei Kuzmin and   
                   Juris Purans   Reverse Monte Carlo modeling of thermal
                                  disorder in crystalline materials from
                                  EXAFS spectra  . . . . . . . . . . . . . 1237--1245
        Michaël Magoga and   
         Fabien Archambault and   
          Jorge I. Cerdá   Nt\_STM: a step forward in Scanning
                                  Tunneling Microscopy (STM) simulations   1246--1249
                    Wei Shi and   
                     Xinyuan Wu   On symplectic and symmetric ARKN methods 1250--1258
              Reza Mokhtari and   
                  Majid Mohseni   A meshless method for solving mKdV
                                  equation . . . . . . . . . . . . . . . . 1259--1268
              Jack Deslippe and   
          Georgy Samsonidze and   
           David A. Strubbe and   
                Manish Jain and   
            Marvin L. Cohen and   
                Steven G. Louie   BerkeleyGW: a massively parallel
                                  computer package for the calculation of
                                  the quasiparticle and optical properties
                                  of materials and nanostructures  . . . . 1269--1289
            Markus Q. Huber and   
                     Jens Braun   Algorithmic derivation of functional
                                  renormalization group equations and
                                  Dyson--Schwinger equations . . . . . . . 1290--1320
            Albert Deuzeman and   
              Siebren Reker and   
             Carsten Urbach and   
              ETM Collaboration   Lemon: An MPI parallel I/O library for
                                  data encapsulation using LIME  . . . . . 1321--1335
            Simon Catterall and   
                   Anosh Joseph   An object oriented code for simulating
                                  supersymmetric Yang--Mills theories  . . 1336--1353
               P. Jakubczyk and   
                     A. Wal and   
               D. Jakubczyk and   
                       T. Lulek   Computer implementation of the
                                  Kerov--Kirillov--Reshetikhin algorithm   1354--1362
               H. P. Nilles and   
    S. Ramos-Sánchez and   
       P. K. S. Vaudrevange and   
                   A. Wingerter   The orbifolder: a tool to study the
                                  low-energy effective theory of heterotic
                                  orbifolds  . . . . . . . . . . . . . . . 1363--1380
           András Vukics   C++QEDv2: The multi-array concept and
                                  compile-time algorithms in the
                                  definition of composite quantum systems  1381--1396
                    A. Deveikis   A computer program for two-particle
                                  intrinsic coefficients of fractional
                                  parentage  . . . . . . . . . . . . . . . 1397--1401

Computer Physics Communications
Volume 183, Number 7, July, 2012

                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
François Fillion-Gourdeau and   
             Emmanuel Lorin and   
       André D. Bandrauk   Numerical solution of the time-dependent
                                  Dirac equation in coordinate space
                                  without fermion-doubling . . . . . . . . 1403--1415
               M. Bernaschi and   
                  M. Fatica and   
                  G. Parisi and   
                      L. Parisi   Multi-GPU codes for spin systems
                                  simulations  . . . . . . . . . . . . . . 1416--1421
              M. Hutchinson and   
                       M. Widom   VASP on a GPU: Application to
                                  exact-exchange calculations of the
                                  stability of elemental boron . . . . . . 1422--1426
                  Haokai Lu and   
                        Peng Li   Stochastic projective methods for
                                  simulating stiff chemical reacting
                                  systems  . . . . . . . . . . . . . . . . 1427--1442
              Andreas Mayer and   
            Hanna Salopaasi and   
            Katariina Pussi and   
                 Renee D. Diehl   A novel method for the extraction of
                                  intensity-energy spectra from low-energy
                                  electron diffraction patterns  . . . . . 1443--1447
              I. Akushevich and   
               O. F. Filoti and   
                A. Ilyichev and   
                    N. Shumeiko   Monte Carlo generator ELRADGEN 2.0 for
                                  simulation of radiative events in
                                  elastic $ e p $-scattering of polarized
                                  particles  . . . . . . . . . . . . . . . 1448--1467
             J. M. Cherfils and   
                   G. Pinon and   
                    E. Rivoalen   JOSEPHINE: a parallel SPH code for
                                  free-surface flows . . . . . . . . . . . 1468--1480
            B. Hischenhuber and   
                F. Frommlet and   
               W. Schreiner and   
                       B. Knapp   MH$^2$ c: Characterization of major
                                  histocompatibility $ \alpha $-helices
                                  --- an information criterion approach    1481--1490
           Benjamin Lindner and   
                Jeremy C. Smith   Sassena --- X-ray and neutron scattering
                                  calculated from molecular dynamics
                                  trajectories using massively parallel
                                  computers  . . . . . . . . . . . . . . . 1491--1501
              C. Schimeczek and   
                   D. Engel and   
                      G. Wunner   A highly optimized code for calculating
                                  atomic data at neutron star magnetic
                                  field strengths using a doubly
                                  self-consistent Hartree--Fock--Roothaan
                                  method . . . . . . . . . . . . . . . . . 1502--1510
Luiz C. Mostaço-Guidolin and   
          Rafael B. Frigori and   
              Leonid Ruchko and   
    Ricardo M. O. Galvão   SCTE: an open-source Perl framework for
                                  testing equipment control and data
                                  acquisition  . . . . . . . . . . . . . . 1511--1518
                      Feng Feng   A recursive method to calculate
                                  UV-divergent parts at one-loop level in
                                  dimensional regularization . . . . . . . 1519--1524
                   S. Fritzsche   The Ratip program for relativistic
                                  calculations of atomic transition,
                                  ionization and recombination properties  1525--1559
           Daniel J. Sindhikara   Modular reweighting software for
                                  statistical mechanical analysis of
                                  biased equilibrium data  . . . . . . . . 1560--1561

Computer Physics Communications
Volume 183, Number 8, August, 2012

                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
            Andrey Asadchev and   
                 Mark S. Gordon   Mixed-precision evaluation of
                                  two-electron integrals by Rys quadrature 1563--1567
                  Junqi Yin and   
                   D. P. Landau   Massively parallel Wang--Landau sampling
                                  on multiple GPUs . . . . . . . . . . . . 1568--1573
                   Su Do Yi and   
                   Beom Jun Kim   Force correlations in molecular and
                                  stochastic dynamics  . . . . . . . . . . 1574--1577
        Ezequiel E. Ferrero and   
    Juan Pablo De Francesco and   
    Nicolás Wolovick and   
               Sergio A. Cannas   $q$-state Potts model metastability
                                  study using optimized GPU-based Monte
                                  Carlo algorithms . . . . . . . . . . . . 1578--1587
                   Yan Zhao and   
                 Xuesong Li and   
                         Lin Ma   Multidimensional Monte Carlo model for
                                  two-photon laser-induced fluorescence
                                  and amplified spontaneous emission . . . 1588--1595
                K. C. Tseng and   
                  T. C. Kuo and   
                  S. C. Lin and   
                   C. C. Su and   
                       J. S. Wu   Simulations of subsonic vortex-shedding
                                  flow past a $2$D vertical plate in the
                                  near-continuum regime by the
                                  parallelized DSMC code . . . . . . . . . 1596--1608
                 Liquan Mei and   
                    Yaping Chen   Numerical solutions of RLW equation
                                  using Galerkin method with extrapolation
                                  techniques . . . . . . . . . . . . . . . 1609--1616
                R.-L. Jiang and   
                    C. Fang and   
                     P.-F. Chen   A new MHD code with adaptive mesh
                                  refinement and parallelization for
                                  astrophysics . . . . . . . . . . . . . . 1617--1633
              Adnane Hamiaz and   
                 Rudy Klein and   
           Xavier Ferrieres and   
             Olivier Pascal and   
          Jean-Pierre Boeuf and   
              Jean-Rene Poirier   Finite Volume Time Domain modelling of
                                  microwave breakdown and plasma formation
                                  in a metallic aperture . . . . . . . . . 1634--1640
          Andrea Colagrossi and   
               B. Bouscasse and   
                 M. Antuono and   
                     S. Marrone   Particle packing algorithm for SPH
                                  schemes  . . . . . . . . . . . . . . . . 1641--1653
     Hanz Y. Ramírez and   
              Alejandro Santana   Two interacting electrons confined in a
                                  $3$D parabolic cylindrically symmetric
                                  potential, in presence of axial magnetic
                                  field: a finite element approach . . . . 1654--1657
                    Xi Chen and   
                     Z. J. Ding   Solving extra-high-order Rubik's Cube
                                  problem by a dynamic simulated annealing 1658--1663
                Nobuko Ohba and   
                Shuji Ogata and   
             Takahisa Kouno and   
            Tomoyuki Tamura and   
                  Ryo Kobayashi   Linear scaling algorithm of real-space
                                  density functional theory of electrons
                                  with correlated overlapping domains  . . 1664--1673
          Edoardo Di Napoli and   
         Stefan Blügel and   
               Paolo Bientinesi   Correlations in sequences of generalized
                                  eigenproblems arising in Density
                                  Functional Theory  . . . . . . . . . . . 1674--1682
         Georgios Kalantzis and   
     Dimitrios Emfietzoglou and   
         Panagiotis Hadjidoukas   A unified spatio-temporal
                                  parallelization framework for
                                  accelerated Monte Carlo radiobiological
                                  modeling of electron tracks and
                                  subsequent radiation chemistry . . . . . 1683--1695
        Asimina Maniopoulou and   
      Erlend R. M. Davidson and   
        Ricardo Grau-Crespo and   
                 Aron Walsh and   
                Ian J. Bush and   
       C. Richard A. Catlow and   
               Scott M. Woodley   Introducing $k$-point parallelism into
                                  VASP . . . . . . . . . . . . . . . . . . 1696--1701
                  B. Pekmen and   
                M. Tezer-Sezgin   Differential quadrature solution of
                                  nonlinear Klein--Gordon and sine--Gordon
                                  equations  . . . . . . . . . . . . . . . 1702--1713
        Isaac Gabriel Salib and   
                   Shimon Haber   Is the cutoff radius in DPD simulations
                                  with a fluid of constant density
                                  arbitrary? . . . . . . . . . . . . . . . 1714--1718
            J. A. Heikkinen and   
                 T. Korpilo and   
             S. J. Janhunen and   
            T. P. Kiviniemi and   
                 S. Leerink and   
                      F. Ogando   Interpolation for momentum conservation
                                  in $3$D toroidal gyrokinetic particle
                                  simulation of plasmas  . . . . . . . . . 1719--1727
                Pengfei Wei and   
                Zhenzhou Lu and   
                 Wenrui Hao and   
                   Jun Feng and   
                   Bintuan Wang   Efficient sampling methods for global
                                  reliability sensitivity analysis . . . . 1728--1743
                  Gary Yuan and   
           François Gygi   A distributed approach to verification
                                  and validation of electronic structure
                                  simulation data using ESTEST . . . . . . 1744--1748
             Gui-Yang Huang and   
              Chong-Yu Wang and   
                  Jian-Tao Wang   Detailed check of the $ L D A + U $ and
                                  $ G G A + U $ corrected method for
                                  defect calculations in wurtzite ZnO  . . 1749--1752
              Elena Eremina and   
                Yuri Eremin and   
           Natalia Grishina and   
                  Thomas Wriedt   New scheme of the Discrete Sources
                                  Method for investigation of a near field
                                  enhancement by coupled particles . . . . 1753--1759
            J. R. Johansson and   
               P. D. Nation and   
                    Franco Nori   QuTiP: an open-source Python framework
                                  for the dynamics of open quantum systems 1760--1772
                   A. Jablonski   An effective algorithm for calculating
                                  the Chandrasekhar function . . . . . . . 1773--1782
               Moti Umansky and   
                   Daphne Weihs   Novel algorithm and MATLAB-based program
                                  for automated power law analysis of
                                  single particle, time-dependent
                                  mean-square displacement . . . . . . . . 1783--1792
              Carsten Svaneborg   LAMMPS framework for dynamic bonding and
                                  an application modeling DNA  . . . . . . 1793--1802
             Jingjing Zheng and   
           Steven L. Mielke and   
        Kenneth L. Clarkson and   
              Donald G. Truhlar   MSTor: a program for calculating
                                  partition functions, free energies,
                                  enthalpies, entropies, and heat
                                  capacities of complex molecules
                                  including torsional anharmonicity  . . . 1803--1812
               T. Pálmai   Regularization of multi-soliton form
                                  factors in sine--Gordon model  . . . . . 1813--1821
                       A. Arbey   AlterBBN: a program for calculating the
                                  BBN abundances of the elements in
                                  alternative cosmologies  . . . . . . . . 1822--1831
             M. F. Ciappina and   
                    T. Kirchner   SymbMat: Symbolic computation of quantum
                                  transition matrix elements . . . . . . . 1832--1840
              Russell M. Pitzer   Atomic self-consistent-field program by
                                  the basis set expansion method: Columbus
                                  version  . . . . . . . . . . . . . . . . 1841--1842
           Christian Clason and   
            Gregory von Winckel   A general spectral method for the
                                  numerical simulation of one-dimensional
                                  interacting fermions . . . . . . . . . . 1843--1844

Computer Physics Communications
Volume 183, Number 9, September, 2012

                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
            Barbara Schmidt and   
           Matthias Steinhauser   CRunDec: a C++ package for running and
                                  decoupling of the strong coupling and
                                  quark masses . . . . . . . . . . . . . . 1845--1848
              Wanxiang Feng and   
                    Jun Wen and   
               Jinjian Zhou and   
                    Di Xiao and   
                      Yugui Yao   First-principles calculation of $ Z_2 $
                                  topological invariants within the
                                  FP--LAPW formalism . . . . . . . . . . . 1849--1859
             Luigi Brugnano and   
           Felice Iavernaro and   
               Donato Trigiante   A two-step, fourth-order method with
                                  energy preserving properties . . . . . . 1860--1868
         Elizabeth Williams and   
                  James Tickner   Efficient Monte Carlo simulation of
                                  coincidence effects in radioisotope
                                  decays including $ \gamma $--$ \gamma $
                                  angular correlations . . . . . . . . . . 1869--1876
              J. L. Velasco and   
                  A. Bustos and   
         F. Castejón and   
     L. A. Fernández and   
            V. Martin-Mayor and   
             A. Tarancón   ISDEP: Integrator of stochastic
                                  differential equations for plasmas . . . 1877--1883
                    T. Siro and   
                       A. Harju   Exact diagonalization of the Hubbard
                                  model on graphics processing units . . . 1884--1889
               Saeed Ovaysi and   
                  Mohammad Piri   Multi-GPU acceleration of direct
                                  pore-scale modeling of fluid flow in
                                  natural porous media . . . . . . . . . . 1890--1898
            Tomasz M. Gwizdalla   The hybrid algorithm for the study of
                                  geometric configurations of $2$D
                                  clusters of uniformly charged classical
                                  particles  . . . . . . . . . . . . . . . 1899--1903
             Alberto Talamo and   
             Zhaopeng Zhong and   
                   Yousry Gohar   Monte Carlo and deterministic
                                  calculation of the Bell and Glasstone
                                  spatial correction factor  . . . . . . . 1904--1910
                K. Jorissen and   
                 F. D. Vila and   
                     J. J. Rehr   A high performance scientific cloud
                                  computing environment for materials
                                  simulations  . . . . . . . . . . . . . . 1911--1919
     Ydalia Delgado Mercado and   
           Hans Gerd Evertz and   
            Christof Gattringer   Worm algorithms for the 3-state Potts
                                  model with magnetic field and chemical
                                  potential  . . . . . . . . . . . . . . . 1920--1927
         André Barka and   
                Nicolas Douchin   Asymptotic simplifications for hybrid
                                  BEM/GO/PO/PTD techniques based on a
                                  Generalized Scattering Matrix approach   1928--1936
                   S. Tabik and   
               L. F. Romero and   
                  P. Mimica and   
                   O. Plata and   
                   E. L. Zapata   VLBI-resolution radio-map algorithms:
                                  Performance analysis of different levels
                                  of data-sharing on multi-socket,
                                  multi-core architectures . . . . . . . . 1937--1946
                  Enying Li and   
                    Hu Wang and   
                    Guangyao Li   High dimensional model representation
                                  (HDMR) coupled intelligent sampling
                                  strategy for nonlinear problems  . . . . 1947--1955
                 Haochen Li and   
                  Jianqiang Sun   A new multi-symplectic scheme for the
                                  generalized Kadomtsev--Petviashvili
                                  equation . . . . . . . . . . . . . . . . 1956--1965
                M. Gherardi and   
                 T. Jourdan and   
             S. Le Bourdiec and   
                    G. Bencteux   Hybrid deterministic/stochastic
                                  algorithm for large sets of rate
                                  equations  . . . . . . . . . . . . . . . 1966--1973
                  S. Dalena and   
                P. Chuychai and   
                 R. L. Mace and   
                   A. Greco and   
                     G. Qin and   
                W. H. Matthaeus   Streamline generation code for particle
                                  dynamics description in numerical models
                                  of turbulence  . . . . . . . . . . . . . 1974--1985
                 S. Maeyama and   
                A. Ishizawa and   
             T.-H. Watanabe and   
                N. Nakajima and   
               S. Tsuji-Iio and   
                     H. Tsutsui   A hybrid method of semi-Lagrangian and
                                  additive semi-implicit Runge--Kutta
                                  schemes for gyrokinetic Vlasov
                                  simulations  . . . . . . . . . . . . . . 1986--1992
              Waseem Kamleh and   
                   Mike Peardon   Polynomial filtered HMC --- an algorithm
                                  for lattice QCD with dynamical quarks    1993--2000
        Evandro F. da Silva and   
    Mário J. de Oliveira   Two versions of the threshold contact
                                  model in two dimensions  . . . . . . . . 2001--2005
          Carroll L. Wainwright   CosmoTransitions: Computing cosmological
                                  phase transition temperatures and bubble
                                  profiles with multiple fields  . . . . . 2006--2013
        Timothy J. McIntyre and   
               Alexis I. Bishop   Fringe --- a Java-based finite fringe
                                  analysis package . . . . . . . . . . . . 2014--2018
                 J. Avellar and   
            L. G. S. Duarte and   
        L. A. C. P. da Mota and   
                 N. de Melo and   
                  J. E. F. Skea   The Ndynamics package --- Numerical
                                  analysis of dynamical systems and the
                                  fractal dimension of boundaries  . . . . 2019--2020
         Dusan Vudragovi\'c and   
          Ivana Vidanovi\'c and   
                Antun Balaz and   
      Paulsamy Muruganandam and   
             Sadhan K. Adhikari   C programs for solving the
                                  time-dependent Gross--Pitaevskii
                                  equation in a fully anisotropic trap . . 2021--2025

Computer Physics Communications
Volume 183, Number 10, October, 2012

                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
         Masaharu Matsumoto and   
         Yoshihiro Kajimura and   
              Hideyuki Usui and   
               Ikkoh Funaki and   
                  Iku Shinohara   Application of a total variation
                                  diminishing scheme to electromagnetic
                                  hybrid particle-in-cell plasma
                                  simulation . . . . . . . . . . . . . . . 2027--2034
                  N. Dubray and   
                     D. Regnier   Numerical search of discontinuities in
                                  self-consistent potential energy
                                  surfaces . . . . . . . . . . . . . . . . 2035--2041
                D. Vigan\`o and   
                 J. A. Pons and   
                 J. A. Miralles   A new code for the Hall-driven magnetic
                                  evolution of neutron stars . . . . . . . 2042--2053
              Kevin B. Daly and   
            Jay B. Benziger and   
       Pablo G. Debenedetti and   
 Athanassios Z. Panagiotopoulos   Massively parallel chemical potential
                                  calculation on graphics processing units 2054--2062
               Yanchao Wang and   
                    Jian Lv and   
                     Li Zhu and   
                     Yanming Ma   CALYPSO: a method for crystal structure
                                  prediction . . . . . . . . . . . . . . . 2063--2070
      Cathal Ó Broin and   
          L. A. A. Nikolopoulos   An OpenCL implementation for the
                                  solution of the time-dependent
                                  Schrödinger equation on GPUs and CPUs . . 2071--2080
                 Bokui Chen and   
              Chuanfei Dong and   
                   Yike Liu and   
                   Wei Tong and   
               Wenyao Zhang and   
                    Jie Liu and   
                  Binghong Wang   Real-time information feedback based on
                                  a sharp decay weighted function  . . . . 2081--2088
          Alejandro León   An efficient model for studying the
                                  dynamics of frustrated systems . . . . . 2089--2097
              Ram K. Pandey and   
                Om P. Singh and   
          Vipul K. Baranwal and   
              Manoj P. Tripathi   An analytic solution for the space--time
                                  fractional advection-dispersion equation
                                  using the optimal homotopy asymptotic
                                  method . . . . . . . . . . . . . . . . . 2098--2106
              Hyun Geun Lee and   
                    Junseok Kim   An efficient and accurate numerical
                                  algorithm for the vector-valued
                                  Allen--Cahn equations  . . . . . . . . . 2107--2115
                   H. Kohno and   
                 J. R. Myra and   
               D. A. D'Ippolito   A finite element procedure for
                                  radio-frequency sheath-plasma
                                  interactions in the ion cyclotron range
                                  of frequencies . . . . . . . . . . . . . 2116--2127
             Alexei Deinega and   
                    Sajeev John   Finite difference discretization of
                                  semiconductor drift-diffusion equations
                                  for nanowire solar cells . . . . . . . . 2128--2135
                   F. Yuasa and   
              E. de Doncker and   
               N. Hamaguchi and   
                T. Ishikawa and   
                    K. Kato and   
                Y. Kurihara and   
                J. Fujimoto and   
                     Y. Shimizu   Numerical computation of two-loop box
                                  diagrams with masses . . . . . . . . . . 2136--2144
              Bernd A. Berg and   
                         Hao Wu   Fortran code for $ {\rm SU}(3) $ lattice
                                  gauge theory with and without MPI
                                  checkerboard parallelization . . . . . . 2145--2157
                      Feng Feng   \$Apart: a generalized {Mathematica}
                                  {{\tt Apart}} function . . . . . . . . . 2158--2164
              Florian Staub and   
               Thorsten Ohl and   
               Werner Porod and   
             Christian Speckner   A tool box for implementing
                                  supersymmetric models  . . . . . . . . . 2165--2206
                Lutz Foucar and   
                Anton Barty and   
             Nicola Coppola and   
            Robert Hartmann and   
                 Peter Holl and   
                  Uwe Hoppe and   
         Stephan Kassemeyer and   
                Nils Kimmel and   
         Jochen Küpper and   
               Mirko Scholz and   
             Simone Techert and   
            Thomas A. White and   
        Lothar Strüder and   
                Joachim Ullrich   CASS--CFEL--ASG software suite . . . . . 2207--2213
Alfonso García-Parrado Gómez-Lobo and   
José M. Martín-García   Spinors: a Mathematica package for doing
                                  spinor calculus in General Relativity    2214--2225
                Gonzalo Alvarez   Implementation of the $ {\rm SU}(2) $
                                  Hamiltonian symmetry for the DMRG
                                  algorithm  . . . . . . . . . . . . . . . 2226--2232
                 Victor Liu and   
                    Shanhui Fan   $ S^4 $: a free electromagnetic solver
                                  for layered periodic structures  . . . . 2233--2244
             A. Buraczewski and   
                 M. Stobi\'nska   Numerical model for macroscopic quantum
                                  superpositions based on phase-covariant
                                  quantum cloning  . . . . . . . . . . . . 2245--2253
         Priscila de Aquino and   
               William Link and   
              Fabio Maltoni and   
          Olivier Mattelaer and   
                    Tim Stelzer   ALOHA: Automatic libraries of helicity
                                  amplitudes for Feynman diagram
                                  computations . . . . . . . . . . . . . . 2254--2263
            Piotr Magierski and   
             Gabriel Wlazlowski   LINPRO: Linear inverse problem library
                                  for data contaminated by statistical
                                  noise  . . . . . . . . . . . . . . . . . 2264--2271
       Miguel A. L. Marques and   
      Micael J. T. Oliveira and   
                  Tobias Burnus   Libxc: a library of exchange and
                                  correlation functionals for density
                                  functional theory  . . . . . . . . . . . 2272--2281
       Daniel Kuchelmeister and   
         Thomas Müller and   
                Marco Ament and   
         Günter Wunner and   
                Daniel Weiskopf   GPU-based four-dimensional
                                  general-relativistic ray tracing . . . . 2282--2290
                Amna Noreen and   
            Kåre Olaussen   High precision series solutions of
                                  differential equations: Ordinary and
                                  regular singular points of second order
                                  ODEs . . . . . . . . . . . . . . . . . . 2291--2297
              Renato M. Fonseca   Calculating the renormalisation group
                                  equations of a SUSY model with Susyno    2298--2306
           H. Hluchá and   
                   H. Eberl and   
                      W. Frisch   SFOLD --- a program package for
                                  calculating two-body sfermion decays at
                                  full one-loop level in the MSSM  . . . . 2307--2312
                 J. Avellar and   
            L. G. S. Duarte and   
            L. A. C. P. da Mota   PSsolver: a Maple implementation to
                                  solve first order ordinary differential
                                  equations with Liouvillian solutions . . 2313--2314

Computer Physics Communications
Volume 183, Number 11, November, 2012

                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
       Tarik Hadzibeganovic and   
       F. Welington S. Lima and   
              Dietrich Stauffer   Evolution of tag-mediated altruistic
                                  behavior in one-shot encounters on
                                  large-scale complex networks . . . . . . 2315--2321
                  M. Arioli and   
                     S. Gratton   Linear regression models, least-squares
                                  problems, normal equations, and stopping
                                  criteria for the conjugate gradient
                                  method . . . . . . . . . . . . . . . . . 2322--2336
            T. V. S. Sekhar and   
            B. Hema Sundar Raju   An efficient higher order compact scheme
                                  to capture heat transfer solutions in
                                  spherical geometry . . . . . . . . . . . 2337--2345
               P. J. Knight and   
              A. Thyagaraja and   
              T. D. Edwards and   
                    J. Hein and   
               M. Romanelli and   
               K. G. McClements   CENTORI: a global toroidal
                                  electromagnetic two-fluid plasma
                                  turbulence code  . . . . . . . . . . . . 2346--2363
                Ki-Hwan Kim and   
                     Q-Han Park   Overlapping computation and
                                  communication of three-dimensional FDTD
                                  on a GPU cluster . . . . . . . . . . . . 2364--2369
              Alan R. Levin and   
                Deyin Zhang and   
                   Eric Polizzi   FEAST fundamental framework for
                                  electronic structure calculations:
                                  Reformulation and solution of the
                                  muffin-tin problem . . . . . . . . . . . 2370--2375
           Shin-ichi Satake and   
           Hajime Yoshimori and   
                Takayuki Suzuki   Optimizations of a GPU accelerated heat
                                  conduction equation by a programming of
                                  CUDA Fortran from an analysis of a PTX
                                  file . . . . . . . . . . . . . . . . . . 2376--2385
             Fernando Casas and   
                Ander Murua and   
                 Mladen Nadinic   Efficient computation of the Zassenhaus
                                  formula  . . . . . . . . . . . . . . . . 2386--2391
             V. Khoromskaia and   
                  D. Andrae and   
               B. N. Khoromskij   Fast and accurate $3$D tensor
                                  calculation of the Fock operator in a
                                  general basis  . . . . . . . . . . . . . 2392--2404
                M. Joulaian and   
                A. Pishevar and   
                S. Khajepor and   
                  F. Schmid and   
                      Y. Afshar   A new algorithm for simulating flows of
                                  conducting fluids in the presence of
                                  electric fields  . . . . . . . . . . . . 2405--2412
                     Ram Jiwari   A Haar wavelet quasilinearization
                                  approach for numerical simulation of
                                  Burgers' equation  . . . . . . . . . . . 2413--2423
              Tiziano Leidi and   
             Giulio Scocchi and   
               Loris Grossi and   
            Simone Pusterla and   
           Claudio D'Angelo and   
       Jean-Philippe Thiran and   
                 Alberto Ortona   Computing effective properties of random
                                  heterogeneous materials on heterogeneous
                                  parallel processors  . . . . . . . . . . 2424--2433
   Frederick Ira Moxley III and   
                 Tim Byrnes and   
          Fumitaka Fujiwara and   
                   Weizhong Dai   A generalized finite-difference
                                  time-domain quantum method for the
                                  $N$-body interacting Hamiltonian . . . . 2434--2440
            Markus Q. Huber and   
                   Mario Mitter   CrasyDSE: a framework for solving
                                  Dyson--Schwinger equations . . . . . . . 2441--2457
                   W. Porod and   
                       F. Staub   SPheno 3.1: extensions including
                                  flavour, CP-phases and models beyond the
                                  MSSM . . . . . . . . . . . . . . . . . . 2458--2469
                A. A. Azooz and   
           S. H. Al-Nia'emi and   
               M. A. Al-Jubbori   A parameterization of nuclear track
                                  profiles in CR-39 detector . . . . . . . 2470--2479
                  Anton Nazarov   \tt Affine.m --- Mathematica package for
                                  computations in representation theory of
                                  finite-dimensional and affine Lie
                                  algebras . . . . . . . . . . . . . . . . 2480--2493
       Ján Busa, Jr. and   
              Shura Hayryan and   
               Ming-Chya Wu and   
            Ján Busa and   
                    Chin-Kun Hu   ARVO-CL: the OpenCL version of the ARVO
                                  package --- An efficient tool for
                                  computing the accessible surface area
                                  and the excluded volume of proteins via
                                  analytical equations . . . . . . . . . . 2494--2497

Computer Physics Communications
Volume 183, Number 12, December, 2012

                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
           Beatrice Paternoster   Present state-of-the-art in exponential
                                  fitting. A contribution dedicated to
                                  Liviu Ixaru on his 70th birthday . . . . 2499--2512
                 Liang Chen and   
                   Cheng Lv and   
                    Xunya Jiang   A re-formulation of the transfer matrix
                                  method for calculating wave-functions in
                                  higher dimensional disordered open
                                  systems  . . . . . . . . . . . . . . . . 2513--2518
             V. V. Karasiev and   
                  S. B. Trickey   Issues and challenges in orbital-free
                                  density functional calculations  . . . . 2519--2527
              Marcelo Fiori and   
                 J. E. Miraglia   New approach for approximating the
                                  continuum wave function by Gaussian
                                  basis set  . . . . . . . . . . . . . . . 2528--2534
              Suzanne Varet and   
           Sidonie Lefebvre and   
       Gérard Durand and   
             Antoine Roblin and   
                    Serge Cohen   Effective discrepancy and numerical
                                  experiments  . . . . . . . . . . . . . . 2535--2541
             C. S. Bresolin and   
              A. A. M. Oliveira   An algorithm based on collision theory
                                  for the lattice Boltzmann simulation of
                                  isothermal mass diffusion with chemical
                                  reaction . . . . . . . . . . . . . . . . 2542--2549
                  K.-M. Lin and   
                   M.-H. Hu and   
                 C.-T. Hung and   
                   J.-S. Wu and   
                F.-N. Hwang and   
                 Y.-S. Chen and   
                       G. Cheng   A parallel hybrid numerical algorithm
                                  for simulating gas flow and gas
                                  discharge of an atmospheric-pressure
                                  plasma jet . . . . . . . . . . . . . . . 2550--2560
             Gabriel Voitcu and   
               Marius Echim and   
               Richard Marchand   Comparative study of forward and
                                  backward test-kinetic simulation
                                  approaches . . . . . . . . . . . . . . . 2561--2569
                 M. Antuono and   
              A. Colagrossi and   
                     S. Marrone   Numerical diffusive terms in
                                  weakly-compressible SPH schemes  . . . . 2570--2580
             Alejandro Soba and   
        Edgar Alejandro Bea and   
         Guillaume Houzeaux and   
             Hadrien Calmet and   
  José María Cela   Real-space density functional theory and
                                  time dependent density functional theory
                                  using finite/infinite element methods    2581--2588
               E. Hirvijoki and   
                 A. Snicker and   
                 T. Korpilo and   
                  P. Lauber and   
                    E. Poli and   
               M. Schneller and   
                T. Kurki-Suonio   Alfvén eigenmodes and neoclassical
                                  tearing modes for orbit-following
                                  implementations  . . . . . . . . . . . . 2589--2593
            Santos B. Yuste and   
Joaquín Quintana-Murillo   A finite difference method with
                                  non-uniform timesteps for fractional
                                  diffusion equations  . . . . . . . . . . 2594--2600
                      R. Krivec   Numerical regularization of Klauder
                                  effect in QLM  . . . . . . . . . . . . . 2601--2607
            J.-L. Fattebert and   
             D. F. Richards and   
                   J. N. Glosli   Dynamic load balancing algorithm for
                                  molecular dynamics based on Voronoi
                                  cells domain decompositions  . . . . . . 2608--2615
                    Suman Sinha   Performance of Wang--Landau algorithm in
                                  lattice model of liquid crystals . . . . 2616--2621
                Darko Veberi\vc   Lambert $W$ function for applications in
                                  physics  . . . . . . . . . . . . . . . . 2622--2628
             T. A. Heltemes and   
                    G. A. Moses   BADGER v1.0: a Fortran equation of state
                                  library  . . . . . . . . . . . . . . . . 2629--2646


Computer Physics Communications
Volume 184, Number 1, January, 2013

                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
                      Anonymous   Computer Physics Communications --- List
                                  of Editors . . . . . . . . . . . . . . . iv--v
             Fuyuki Shimojo and   
             Satoshi Ohmura and   
                 Weiwei Mou and   
             Rajiv K. Kalia and   
            Aiichiro Nakano and   
                Priya Vashishta   Large nonadiabatic quantum molecular
                                  dynamics simulations on parallel
                                  computers  . . . . . . . . . . . . . . . 1--8
                  Weile Jia and   
                Zongyan Cao and   
                  Long Wang and   
                   Jiyun Fu and   
                 Xuebin Chi and   
                 Weiguo Gao and   
                  Lin-Wang Wang   The analysis of a plane wave
                                  pseudopotential density functional
                                  theory code on a GPU machine . . . . . . 9--18
            Katherine Baker and   
          Andrij Baumketner and   
                 Yuchun Lin and   
             Shaozhong Deng and   
              Donald Jacobs and   
                        Wei Cai   ICSM: an order $N$ method for
                                  calculating electrostatic interactions
                                  added to TINKER  . . . . . . . . . . . . 19--26
                   E. Voyiatzis   Mechanical properties and elastic
                                  constants of atomistic systems through
                                  the stress-fluctuation formalism . . . . 27--33
 Tarcísio M. Rocha Filho   Solving the Vlasov equation for
                                  one-dimensional models with long range
                                  interactions on a GPU  . . . . . . . . . 34--39
            Yukihiro Komura and   
                   Yutaka Okabe   Multi-GPU-based Swendsen--Wang
                                  multi-cluster algorithm for the
                                  simulation of two-dimensional $q$-state
                                  Potts model  . . . . . . . . . . . . . . 40--44
       Eliseo García and   
              Lorena Lozano and   
   Maria-Jesús Algar and   
          Felipe Cátedra   A study of the efficiency of the
                                  parallelization of a high frequency
                                  electromagnetic approach for the
                                  computation of radiation and scattering
                                  considering multiple bounces . . . . . . 45--50
              Changfeng Xue and   
                 Shaozhong Deng   Coulomb Green's function and image
                                  potential near a planar diffuse
                                  interface, revisited . . . . . . . . . . 51--59
                        Bin Lin   Parametric cubic spline method for the
                                  solution of the nonlinear Schrödinger
                                  equation . . . . . . . . . . . . . . . . 60--65
                T. D. Young and   
                  E. Romero and   
                    J. E. Roman   Parallel finite element density
                                  functional computations exploiting grid
                                  refinement and subspace recycling  . . . 66--72
                   Liang Li and   
             Ting-Zhu Huang and   
            Guang-Hui Cheng and   
               Yan-Fei Jing and   
               Zhi-Gang Ren and   
                    Hou-Biao Li   Solution to $3$-D electromagnetic
                                  problems discretized by a hybrid FEM/MOM
                                  method . . . . . . . . . . . . . . . . . 73--78
               Paolo Greppi and   
               Elisabetta Arato   Efficient computation paths for the
                                  systematic analysis of sensitivities . . 79--85
               Dingwen Deng and   
                Chengjian Zhang   A family of new fourth-order solvers for
                                  a nonlinear damped wave equation . . . . 86--101
              Yutaka Utsuno and   
           Noritaka Shimizu and   
            Takaharu Otsuka and   
                    Takashi Abe   Efficient computation of Hamiltonian
                                  matrix elements between non-orthogonal
                                  Slater determinants  . . . . . . . . . . 102--108
           Andreas Windisch and   
           Reinhard Alkofer and   
              Gundolf Haase and   
               Manfred Liebmann   Examining the analytic structure of
                                  Green's functions: Massive parallel
                                  complex integration using GPUs . . . . . 109--116
                 Takumi Doi and   
              Michael G. Endres   Unified contraction algorithm for
                                  multi-baryon correlators on the lattice  117--123
               Nuno Cardoso and   
             Paulo J. Silva and   
               Pedro Bicudo and   
               Orlando Oliveira   Landau gauge fixing on GPUs  . . . . . . 124--129
                  Yezhi Lin and   
                Yinping Liu and   
                      Zhibin Li   Symbolic computation of analytic
                                  approximate solutions for nonlinear
                                  fractional differential equations  . . . 130--141
            Gianluca Col\`o and   
                 Ligang Cao and   
            Nguyen Van Giai and   
                  Luigi Capelli   Self-consistent RPA calculations with
                                  Skyrme-type interactions: the \tt
                                  skyrme\_rpa program  . . . . . . . . . . 142--161
       J. J. Galiana-Merino and   
         J. L. Rosa-Herranz and   
             S. Rosa-Cintas and   
           J. J. Martinez-Espla   SeismicWaveTool: Continuous and discrete
                                  wavelet analysis and filtering for
                                  multichannel seismic data  . . . . . . . 162--171
             I. I. Gontchar and   
             M. V. Chushnyakova   A C-code for the double folding
                                  interaction potential for reactions
                                  involving deformed target nuclei . . . . 172--182
       Alexander P. Bakulev and   
       Vyacheslav L. Khandramai   FAPT: a Mathematica package for
                                  calculations in QCD Fractional Analytic
                                  Perturbation Theory  . . . . . . . . . . 183--193
                      O. Coufal   A method for the accurate and smooth
                                  approximation of standard thermodynamic
                                  functions  . . . . . . . . . . . . . . . 194--200
           Graham R. Dennis and   
             Joseph J. Hope and   
            Mattias T. Johnsson   XMDS2: Fast, scalable simulation of
                                  coupled stochastic partial differential
                                  equations  . . . . . . . . . . . . . . . 201--208
           Seth Quackenbush and   
                 Ryan Gavin and   
                      Ye Li and   
                Frank Petriello   $W$ physics at the LHC with FEWZ 2.1 . . 209--214
              R. A. Sen'kov and   
                   M. Horoi and   
               V. G. Zelevinsky   A high-performance Fortran code to
                                  calculate spin- and parity-dependent
                                  nuclear level densities  . . . . . . . . 215--221
                 Eric Conte and   
              Benjamin Fuks and   
               Guillaume Serret   MadAnalysis 5, a user-friendly framework
                                  for collider phenomenology . . . . . . . 222--256
         Jaroslaw Adam Miszczak   Employing online quantum random number
                                  generators for generating truly random
                                  quantum states in Mathematica  . . . . . 257--258

Computer Physics Communications
Volume 184, Number 2, February, 2013

                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
              J. A. Plascak and   
               P. H. L. Martins   Probability distribution function of the
                                  order parameter: Mixing fields and
                                  universality . . . . . . . . . . . . . . 259--269
          Satrajit Adhikari and   
  António J. C. Varandas   The coupled $3$D wave packet approach
                                  for triatomic reactive scattering in
                                  hyperspherical coordinates . . . . . . . 270--283
              C. D. Sudheer and   
                S. Krishnan and   
              A. Srinivasan and   
                  P. R. C. Kent   Dynamic load balancing for petascale
                                  quantum Monte Carlo applications: the
                                  Alias method . . . . . . . . . . . . . . 284--292
                  O. Sauter and   
                S. Yu. Medvedev   Tokamak coordinate conventions: $ C O C
                                  O S $  . . . . . . . . . . . . . . . . . 293--302
              Dongling Wang and   
                 Aiguo Xiao and   
                     Xueyang Li   Parametric symplectic partitioned
                                  Runge--Kutta methods with
                                  energy-preserving properties for
                                  Hamiltonian systems  . . . . . . . . . . 303--310
             Jochen Gerhard and   
        Volker Lindenstruth and   
                Marcus Bleicher   Relativistic hydrodynamics on graphic
                                  cards  . . . . . . . . . . . . . . . . . 311--319
                Igor V. Sokolov   Alternating-order interpolation in a
                                  charge-conserving scheme for
                                  particle-in-cell simulations . . . . . . 320--328
               M. Bernaschi and   
                  M. Bisson and   
                  M. Fatica and   
              S. Melchionna and   
                       S. Succi   Petaflop hydrokinetic simulations of
                                  complex flows on massive GPU clusters    329--341
                Jin-Chun Li and   
                  Ping Qian and   
            Zhen-Feng Zhang and   
                   Ying Liu and   
             Xiao-Jian Yuan and   
                 Jiang Shen and   
                  Nan-Xian Chen   Theoretical study of structure and
                                  lattice vibrations of R$_3$Co$_{11 -
                                  x}$Fe$_x$B$_4$ (R = Nd, Gd)  . . . . . . 342--347
                 Hong Jiang and   
Ricardo I. Gómez-Abal and   
               Xin-Zheng Li and   
    Christian Meisenbichler and   
     Claudia Ambrosch-Draxl and   
             Matthias Scheffler   FHI-gap: a $ G W $ code based on the
                                  all-electron augmented plane wave method 348--366
                        Jun Liu   Least square based method for obtaining
                                  one-particle spectral functions from
                                  temperature Green functions  . . . . . . 367--373
             Scott Le Grand and   
       Andreas W. Götz and   
                 Ross C. Walker   SPFP: Speed without compromise --- a
                                  mixed precision model for GPU
                                  accelerated molecular dynamics
                                  simulations  . . . . . . . . . . . . . . 374--380
                      Zhi Shang   Performance analysis of large scale
                                  parallel CFD computing based on
                                  Code\_Saturne  . . . . . . . . . . . . . 381--386
                Y. Pavlyukh and   
                    J. Berakdar   Electron repulsion integrals for
                                  self-energy calculations . . . . . . . . 387--395
             Sophia Borowka and   
            Jonathon Carter and   
                Gudrun Heinrich   Numerical evaluation of multi-loop
                                  integrals for arbitrary kinematics with
                                  SecDec 2.0 . . . . . . . . . . . . . . . 396--408
             S. Mickevicius and   
                D. Germanas and   
              R. K. Kalinauskas   Revised calculation of four-particle
                                  harmonic-oscillator transformation
                                  brackets matrix  . . . . . . . . . . . . 409--413
                 R. Chudoba and   
          V. Sadílek and   
                    R. Rypl and   
          M. Vorechovský   Using Python for scientific computing:
                                  Efficient and flexible evaluation of the
                                  statistical characteristics of functions
                                  with multivariate random inputs  . . . . 414--427
             V. B. Zlokazov and   
             V. K. Utyonkov and   
                Yu. S. Tsyganov   VSHEC --- a program for the automatic
                                  spectrum calibration . . . . . . . . . . 428--431
            Mikhail S. Litsarev   The DEPOSIT computer code: Calculations
                                  of electron-loss cross-sections for
                                  complex ions colliding with neutral
                                  atoms  . . . . . . . . . . . . . . . . . 432--439
                   A. Jablonski   Improved algorithm for calculating the
                                  Chandrasekhar function . . . . . . . . . 440--442
                  C. Angeli and   
                  R. Cimiraglia   Automated evaluation of matrix elements
                                  between contracted wavefunctions: a
                                  Mathematica version of the FRODO program 443--444

Computer Physics Communications
Volume 184, Number 3, March, 2013

                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
                 Rio Yokota and   
                L. A. Barba and   
               Tetsu Narumi and   
                  Kenji Yasuoka   Petascale turbulence simulation using a
                                  highly parallel fast multipole method on
                                  GPUs . . . . . . . . . . . . . . . . . . 445--455
   Simon F. Portegies Zwart and   
     Stephen L. W. McMillan and   
          Arjen van Elteren and   
          F. Inti Pelupessy and   
                Nathan de Vries   Multi-physics simulations using a
                                  hierarchical interchangeable software
                                  interface  . . . . . . . . . . . . . . . 456--468
          J. Francés and   
                   S. Bleda and   
                   C. Neipp and   
          A. Márquez and   
                 I. Pascual and   
             A. Beléndez   Performance analysis of the FDTD method
                                  applied to holographic volume gratings:
                                  Multi-core CPU versus GPU computing  . . 469--479
                  Jing Shen and   
              Wei E. I. Sha and   
             Zhixiang Huang and   
             Mingsheng Chen and   
                   Xianliang Wu   High-order symplectic FDTD scheme for
                                  solving a time-dependent Schrödinger
                                  equation . . . . . . . . . . . . . . . . 480--492
                 B.-W. Jeng and   
                 Y.-S. Wang and   
                    C.-S. Chien   A two-parameter continuation algorithm
                                  for vortex pinning in rotating
                                  Bose--Einstein condensates . . . . . . . 493--508
               Nuno Cardoso and   
                   Pedro Bicudo   Generating $ {\rm SU}(N_c) $ pure gauge
                                  lattice QCD configurations on GPUs with
                                  CUDA . . . . . . . . . . . . . . . . . . 509--518
        Martin Lüscher and   
                Stefan Schaefer   Lattice QCD with open boundary
                                  conditions and twisted-mass reweighting  519--528
                 Ali Shokri and   
               Abbas Ali Shokri   The new class of implicit $L$-stable
                                  hybrid Obrechkoff method for the
                                  numerical solution of first order
                                  initial value problems . . . . . . . . . 529--531
           Florian De Vuyst and   
            Francesco Salvarani   GPU-accelerated numerical simulations of
                                  the Knudsen gas on time-dependent
                                  domains  . . . . . . . . . . . . . . . . 532--536
                Marco D. Mazzeo   Fast discontinuous Galerkin
                                  lattice-Boltzmann simulations on GPUs
                                  via maximal kernel fusion  . . . . . . . 537--549
                  Hossein Ebadi   Bound state calculation of two-component
                                  Klein--Gordon equation with
                                  damped-relaxation technique  . . . . . . 550--556
               Baoming Tang and   
              Ehsan Khatami and   
                   Marcos Rigol   A short introduction to numerical
                                  linked-cluster expansions  . . . . . . . 557--564
              Zohreh Asgari and   
                 S. M. Hosseini   Numerical solution of two-dimensional
                                  sine-Gordon and MBE models using Fourier
                                  spectral and high order explicit time
                                  stepping methods . . . . . . . . . . . . 565--572
               Antonio Brunetti   A fast fine-grained genetic algorithm
                                  for spectrum fitting: an application to
                                  X-ray spectra  . . . . . . . . . . . . . 573--578
              N. Mohankumar and   
                     Ajay Rawat   Some comments on the evaluation of the
                                  Chandrasekhar $H$ function . . . . . . . 579--581
                  K. Parand and   
                      J. A. Rad   Kansa method for the solution of a
                                  parabolic equation with an unknown
                                  spacewise-dependent coefficient subject
                                  to an extra measurement  . . . . . . . . 582--595
                  Hai P. Le and   
           Jean-Luc Cambier and   
                   Lord K. Cole   GPU-based flow simulation with detailed
                                  chemical kinetics  . . . . . . . . . . . 596--606
            D. W. L. Sprung and   
                M. I. Betti and   
                    W. van Dijk   Finite Fourier transforms computed by a
                                  modified Filon--Euler--Maclaurin method  607--616
   Jose M. Domínguez and   
     Alejandro J. C. Crespo and   
   Moncho Gómez-Gesteira   Optimization strategies for CPU and GPU
                                  implementations of a smoothed particle
                                  hydrodynamics method . . . . . . . . . . 617--627
                Edan Lerner and   
        Gustavo Düring and   
                 Matthieu Wyart   Simulations of driven overdamped
                                  frictionless hard spheres  . . . . . . . 628--637
                A. Galonska and   
                  P. Gibbon and   
                 F. Imbeaux and   
                  Y. Frauel and   
            B. Guillerminet and   
                G. Manduchi and   
                    F. Wolf and   
            ITM-TF contributors   Parallel universal access layer: a
                                  scalable I/O library for integrated
                                  tokamak modeling . . . . . . . . . . . . 638--646
                S. J. Ahmed and   
                 J. Kivinen and   
                B. Zaporzan and   
                  L. Curiel and   
                S. Pichardo and   
                       O. Rubel   BerryPI: a software for studying
                                  polarization of crystalline solids with
                                  WIEN2k density functional all-electron
                                  package  . . . . . . . . . . . . . . . . 647--651
          Mohammad Poursina and   
               Kurt S. Anderson   Canonical ensemble simulation of
                                  biopolymers using a coarse-grained
                                  articulated generalized
                                  divide-and-conquer scheme  . . . . . . . 652--660
           Roberto da Silva and   
       Mendeli H. Vainstein and   
               Luis C. Lamb and   
                Sandra D. Prado   A simple non-Markovian computational
                                  model of the statistics of soccer
                                  leagues: Emergence and scaling effects   661--670
                   G. Lanzafame   Implicit integrations for SPH in
                                  semi-Lagrangian approach: Application to
                                  the accretion disc modeling in a
                                  microquasar  . . . . . . . . . . . . . . 671--688
              Chris Johnson and   
                  A. D. Kennedy   Numerical determination of partial
                                  spectrum of Hermitian matrices using a
                                  Lánczos method with selective
                                  reorthogonalization  . . . . . . . . . . 689--697
                   L. Basso and   
                 A. Belyaev and   
               D. Chowdhury and   
                  M. Hirsch and   
                  S. Khalil and   
                 S. Moretti and   
                 B. O'Leary and   
                   W. Porod and   
                       F. Staub   Proposal for generalised supersymmetry
                                  Les Houches Accord for see-saw models
                                  and PDG numbering scheme . . . . . . . . 698--719
                  M. Alvaro and   
          E. Cebrián and   
               M. Carretero and   
                  L. L. Bonilla   Numerical methods for kinetic equations
                                  in semiconductor superlattices . . . . . 720--731
     Antonio Souto-Iglesias and   
           Fabricio Maci\`a and   
     Leo M. González and   
            Jose L. Cercos-Pita   On the consistency of MPS  . . . . . . . 732--745
         E. Comesaña and   
               M. Aldegunde and   
          A. J. Garcia-Loureiro   Simulation of the spin polarization and
                                  the charge transport in Zener tunnel
                                  junctions based on ferromagnetic GaAs
                                  and ZnO  . . . . . . . . . . . . . . . . 746--756
               Dieter Bingemann   Statistical identification of structural
                                  rearrangement events in molecular
                                  dynamics trajectories  . . . . . . . . . 757--764
                 HanPing Hu and   
               LingFeng Liu and   
                     NaiDa Ding   Pseudorandom sequence generator based on
                                  the Chen chaotic system  . . . . . . . . 765--768
            P. J. J. Luukko and   
           E. Räsänen   Imaginary time propagation code for
                                  large-scale two-dimensional eigenvalue
                                  problems in magnetic fields  . . . . . . 769--776
               G. L. Masala and   
                 B. Golosio and   
                       P. Oliva   An improved Marching Cube algorithm for
                                  $3$D data segmentation . . . . . . . . . 777--782
           Ashton S. Reimer and   
            Alexei F. Cheviakov   A Matlab-based finite-difference solver
                                  for the Poisson problem with mixed
                                  Dirichlet--Neumann boundary conditions   783--798
                    Jacek Kobus   A finite difference Hartree--Fock
                                  program for atoms and diatomic molecules 799--811
              Marco Caliari and   
                  Stefan Rainer   GSGPEs: a MATLAB code for computing the
                                  ground state of systems of
                                  Gross--Pitaevskii equations  . . . . . . 812--823
              J. Broeckhove and   
                 K. Vanmechelen   An adaptor for C++ callbacks with C and
                                  Fortran libraries  . . . . . . . . . . . 824--832
          Yu. V. Suleimanov and   
                J. W. Allen and   
                    W. H. Green   RPMDrate: Bimolecular chemical reaction
                                  rates from ring polymer molecular
                                  dynamics . . . . . . . . . . . . . . . . 833--840
            Martin Hoefling and   
         Helmut Grubmüller   In silico FRET from simulated dye
                                  dynamics . . . . . . . . . . . . . . . . 841--852
                 Y. G. Chen and   
                     J. B. Wang   Qcompiler: Quantum compilation with the
                                  CSD method . . . . . . . . . . . . . . . 853--865
                R. Marchand and   
                D. Purschke and   
                      J. Samson   LEOrbit: a program to calculate
                                  parameters relevant to modeling Low
                                  Earth Orbit spacecraft-plasma
                                  interaction  . . . . . . . . . . . . . . 866--872
        David A. Bonhommeau and   
           Marie-Pierre Gaigeot   MCMC$^2$: a Monte Carlo code for
                                  multiply-charged clusters  . . . . . . . 873--884
               Carl McBride and   
                Eva G. Noya and   
                    Carlos Vega   A computer program to evaluate the NVM
                                  propagator for rigid asymmetric tops for
                                  use in path integral simulations of
                                  rigid bodies . . . . . . . . . . . . . . 885--890
            Raoul D. Schram and   
          Gerard T. Barkema and   
               Rob H. Bisseling   SAWdoubler: a program for counting
                                  self-avoiding walks  . . . . . . . . . . 891--898
          Debtosh Chowdhury and   
           Raghuveer Garani and   
              Sudhir K. Vempati   SuSeFLAV 1.2: Program for supersymmetric
                                  mass spectra with seesaw mechanism and
                                  rare lepton flavor violating decays  . . 899--918
        Borut Paul Kersevan and   
         Elzbieta Richter-W\kas   The Monte Carlo event generator AcerMC
                                  versions 2.0 to 3.8 with interfaces to
                                  PYTHIA 6.4, HERWIG 6.5 and ARIADNE 4.1   919--985
              G. Bevilacqua and   
                  M. Czakon and   
             M. V. Garzelli and   
             A. van Hameren and   
                  A. Kardos and   
         C. G. Papadopoulos and   
                  R. Pittau and   
                       M. Worek   HELAC-NLO  . . . . . . . . . . . . . . . 986--997
               Oliver Brein and   
        Robert V. Harlander and   
                Tom J. E. Zirke   vh@nnlo-Higgs Strahlung at hadron
                                  colliders  . . . . . . . . . . . . . . . 998--1003
               A. Crivellin and   
                  J. Rosiek and   
           P. H. Chankowski and   
                   A. Dedes and   
              S. Jäger and   
                      P. Tanedo   SUSY\_FLAVOR v2: a computational tool
                                  for FCNC and CP-violating processes in
                                  the MSSM . . . . . . . . . . . . . . . . 1004--1032
                  Lorenzo Botto   A geometric multigrid Poisson solver for
                                  domains containing solid inclusions  . . 1033--1044
            G. F. Jefferson and   
                   J. Carminati   ASP: Automated symbolic computation of
                                  approximate symmetries of differential
                                  equations  . . . . . . . . . . . . . . . 1045--1063
                    B. Azadegan   A Mathematica package for calculation of
                                  planar channeling radiation spectra of
                                  relativistic electrons channeled in a
                                  diamond-structure single crystal
                                  (quantum approach) . . . . . . . . . . . 1064--1069
              Xian-You Wang and   
                   Xing-Gang Wu   GENXICC2.1: an improved version of
                                  GENXICC for hadronic production of
                                  doubly heavy baryons . . . . . . . . . . 1070--1074
             Alexei Bazavov and   
                  Bernd A. Berg   Program package for multicanonical
                                  simulations of $ {\rm U}(1) $ lattice
                                  gauge theory --- Second version  . . . . 1075--1076

Computer Physics Communications
Volume 184, Number 4, April, 2013

                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
                  T. H. Cho and   
                   W. S. Su and   
                T. C. Leung and   
                    Wei Ren and   
                     C. T. Chan   Electronic and optical properties of
                                  bundled single-walled carbon nanotubes
                                  investigated by the first-principles
                                  method . . . . . . . . . . . . . . . . . 1077--1085
       S. A. Galindo-Torres and   
             A. Scheuermann and   
                      L. Li and   
              D. M. Pedroso and   
                 D. J. Williams   A Lattice Boltzmann model for studying
                                  transient effects during
                                  imbibition-drainage cycles in
                                  unsaturated soils  . . . . . . . . . . . 1086--1093
              Shamsul Qamar and   
                   Sidrah Ahmed   The space--time CE/SE method for solving
                                  one-dimensional special relativistic
                                  magnetohydrodynamics equations . . . . . 1094--1105
                  Lin Zhang and   
                 Jie Ouyang and   
                  Xiaohua Zhang   The variational multiscale element free
                                  Galerkin method for MHD flows at high
                                  Hartmann numbers . . . . . . . . . . . . 1106--1118
                  Y. Afshar and   
                  F. Schmid and   
                A. Pishevar and   
                      S. Worley   Exploiting seeding of random number
                                  generators for efficient domain
                                  decomposition parallelization of
                                  dissipative particle dynamics  . . . . . 1119--1128
      Jonathan D. Halverson and   
             Thomas Brandes and   
                  Olaf Lenz and   
                Axel Arnold and   
                  Stas Bevc and   
         Vitaliy Starchenko and   
                Kurt Kremer and   
             Torsten Stuehn and   
                     Dirk Reith   ESPResSo++: a modern multiscale
                                  simulation package for soft matter
                                  systems  . . . . . . . . . . . . . . . . 1129--1149
                    Hong Fu and   
                Limin Zheng and   
                   Minghui Yang   Accelerating modified Shepard
                                  interpolated potential energy
                                  calculations using graphics processing
                                  units  . . . . . . . . . . . . . . . . . 1150--1154
        Johannes Zierenberg and   
              Martin Marenz and   
                 Wolfhard Janke   Scaling properties of a parallel
                                  implementation of the multicanonical
                                  algorithm  . . . . . . . . . . . . . . . 1155--1160
                 Yong Zhang and   
             Ting-Zhu Huang and   
                   Wei Shao and   
                 Sheng-Jian Lai   Some new strategies for RCM ordering in
                                  solving electromagnetic scattering
                                  problems . . . . . . . . . . . . . . . . 1161--1164
               Peter Wittek and   
         Fernando M. Cucchietti   A second-order distributed
                                  Trotter--Suzuki solver with a hybrid
                                  CPU--GPU kernel  . . . . . . . . . . . . 1165--1171
          Andriy O. Lyakhov and   
            Artem R. Oganov and   
           Harold T. Stokes and   
                      Qiang Zhu   New developments in evolutionary
                                  structure prediction algorithm USPEX . . 1172--1182
              Markus Hopfer and   
           Reinhard Alkofer and   
                  Gundolf Haase   Solving the ghost-gluon system of
                                  Yang--Mills theory on GPUs . . . . . . . 1183--1190
                C. Teijeiro and   
                 G. Sutmann and   
              G. L. Taboada and   
              J. Touriño   Parallel Brownian dynamics simulations
                                  with the message-passing and PGAS
                                  programming models . . . . . . . . . . . 1191--1202
                     G. Demeter   Solving the Maxwell--Bloch equations for
                                  resonant nonlinear optics using GPUs . . 1203--1210
      Stéphane Balac and   
            Fabrice Mahé   Embedded Runge--Kutta scheme for
                                  step-size control in the interaction
                                  picture method . . . . . . . . . . . . . 1211--1219
                  J. S. Lee and   
                  M. Carena and   
                   J. Ellis and   
               A. Pilaftsis and   
                C. E. M. Wagner   CPsuperH2.3: an updated tool for
                                  phenomenology in the MSSM with explicit
                                  CP violation . . . . . . . . . . . . . . 1220--1233
            J. R. Johansson and   
               P. D. Nation and   
                    Franco Nori   QuTiP 2: a Python framework for the
                                  dynamics of open quantum systems . . . . 1234--1240
                 Shuang Gao and   
            Gregory D. Peterson   GASPRNG: GPU accelerated scalable
                                  parallel random number generator library 1241--1249
                   R. M. Caplan   NLSEmagic: Nonlinear Schrödinger equation
                                  multi-dimensional Matlab-based
                                  GPU-accelerated integrators using
                                  compact high-order schemes . . . . . . . 1250--1271
              Kyungwon Chun and   
                 Huioon Kim and   
              Hyounggyu Kim and   
                Kil Su Jung and   
                 Youngjoo Chung   GMES: a Python package for solving
                                  Maxwell's equations using the FDTD
                                  method . . . . . . . . . . . . . . . . . 1272--1279
          Hartmut Hafermann and   
             Philipp Werner and   
                   Emanuel Gull   Efficient implementation of the
                                  continuous-time hybridization expansion
                                  quantum impurity solver  . . . . . . . . 1280--1286
                  V. Ledoux and   
                   M. Van Daele   Automatic computation of
                                  quantum-mechanical bound states and
                                  wavefunctions  . . . . . . . . . . . . . 1287--1296
                I. Honkonen and   
             S. von Alfthan and   
                A. Sandroos and   
                P. Janhunen and   
                    M. Palmroth   Parallel grid library for rapid and
                                  flexible simulation development  . . . . 1297--1309
               J. M. Franco and   
                I. Gómez   Some procedures for the construction of
                                  high-order exponentially fitted
                                  Runge--Kutta--Nyström methods of explicit
                                  type . . . . . . . . . . . . . . . . . . 1310--1321
        William K. Ridgeway and   
            David P. Millar and   
            James R. Williamson   Vectorized data acquisition and fast
                                  triple-correlation integrals for
                                  Fluorescence Triple Correlation
                                  Spectroscopy . . . . . . . . . . . . . . 1322--1332
               M. Giannotti and   
                    M. Wise and   
                    A. Mohammed   MESAFace, a graphical interface to
                                  analyze the MESA output  . . . . . . . . 1333--1338
 Enikö J. M. Madarassy and   
                 Viktor T. Toth   Numerical simulation code for
                                  self-gravitating Bose--Einstein
                                  condensates  . . . . . . . . . . . . . . 1339--1343
               I. V. Grossu and   
                  I. Grossu and   
                   D. Felea and   
                  C. Besliu and   
                   Al. Jipa and   
                   T. Esanu and   
            C. C. Bordeianu and   
                        E. Stan   Hyper-Fractal Analysis: a visual tool
                                  for estimating the fractal dimension of
                                  $4$D objects . . . . . . . . . . . . . . 1344--1345
               I. V. Grossu and   
                  C. Besliu and   
                   Al. Jipa and   
                   D. Felea and   
                   T. Esanu and   
                    E. Stan and   
                C. C. Bordeianu   Chaos Many-Body Engine v03: a new
                                  version of code C# for chaos analysis of
                                  relativistic many-body systems with
                                  reactions  . . . . . . . . . . . . . . . 1346--1347
                    N. S. Scott   Editor's corrigendum to ``Phonon
                                  dispersion measured directly from
                                  molecular dynamics simulations''
                                  [Comput. Phys. Comm. \bf 182 (10) (2011)
                                  2201--2207]  . . . . . . . . . . . . . . 1348--1348

Computer Physics Communications
Volume 184, Number 5, May, 2013

                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
              Shamsul Qamar and   
                   Waqas Ashraf   Application of central schemes for
                                  solving radiation hydrodynamical models  1349--1363
               Chaofeng Hou and   
                      Ji Xu and   
                  Peng Wang and   
               Wenlai Huang and   
                   Xiaowei Wang   Efficient GPU-accelerated molecular
                                  dynamics simulation of solid covalent
                                  crystals . . . . . . . . . . . . . . . . 1364--1371
          Leonardo Pacifici and   
               Danilo Nalli and   
               Antonio Lagan\`a   Quantum reactive scattering on
                                  innovative computing platforms . . . . . 1372--1380
            R. López and   
                 J. F. San-Juan   Astrody$^{\rm Web}_{\rm tools}$: an
                                  e-Science project in Astrodynamics and
                                  Celestial Mechanics fields . . . . . . . 1381--1386
               Shyamal Bhar and   
               Soumen Kumar Roy   A comparison of the performance of
                                  Wang--Landau-Transition-Matrix algorithm
                                  with Wang--Landau algorithm for the
                                  determination of the joint density of
                                  states for continuous spin models  . . . 1387--1394
           Mohammed F. Hadi and   
              Seyed A. Esmaeili   CUDA Fortran acceleration for the
                                  finite-difference time-domain method . . 1395--1400
                 Wenrui Hao and   
                Zhenzhou Lu and   
                        Luyi Li   A new interpretation and validation of
                                  variance based importance measures for
                                  models with correlated inputs  . . . . . 1401--1413
                Zheyong Fan and   
                  Topi Siro and   
                      Ari Harju   Accelerated molecular dynamics force
                                  evaluation on graphics processing units
                                  for thermal conductivity calculations    1414--1425
            Carlos E. Fiore and   
      Cláudio J. DaSilva   Equivalence between microcanonical
                                  ensembles for lattice models . . . . . . 1426--1431
           Lajos Szalmás   Accelerated discrete velocity method for
                                  axial-symmetric gaseous flows  . . . . . 1432--1438
         Abhishek Chowdhury and   
                 Asit K. De and   
          Sangita De Sarkar and   
            A. Harindranath and   
            Jyotirmoy Maiti and   
             Santanu Mondal and   
                  Anwesa Sarkar   Exploring autocorrelations in two-flavor
                                  Wilson Lattice QCD using DD-HMC
                                  algorithm  . . . . . . . . . . . . . . . 1439--1445
                  Wenbin Yu and   
                  Maxwell Blair   DNAD, a simple tool for automatic
                                  differentiation of Fortran codes using
                                  dual numbers . . . . . . . . . . . . . . 1446--1452
                 J. Kuipers and   
                    T. Ueda and   
        J. A. M. Vermaseren and   
                    J. Vollinga   FORM version 4.0 . . . . . . . . . . . . 1453--1467
                  P. Homola and   
                   R. Engel and   
                    A. Pysz and   
                H. Wilczy\'nski   Simulation of ultra-high energy photon
                                  propagation with PRESHOWER 2.0 . . . . . 1468--1475
                 Ben-Hao Sa and   
               Dai-Mei Zhou and   
               Yu-Liang Yan and   
               Bao-Guo Dong and   
                         Xu Cai   PACIAE 2.1: an updated issue of the
                                  parton and hadron cascade model PACIAE
                                  2.0  . . . . . . . . . . . . . . . . . . 1476--1479
                 V. B. Zlokazov   VACTIV: a graphical dialog based program
                                  for an automatic processing of line and
                                  band spectra . . . . . . . . . . . . . . 1480--1481

Computer Physics Communications
Volume 184, Number 6, June, 2013

                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
            A. Yu. Polyakov and   
               T. V. Lyutyy and   
                 S. Denisov and   
                 V. V. Reva and   
                 P. Hänggi   Large-scale ferrofluid simulations on
                                  graphics processing units  . . . . . . . 1483--1489
                Weihua Geng and   
                   Ferosh Jacob   A GPU-accelerated direct-sum boundary
                                  integral Poisson--Boltzmann solver . . . 1490--1496
         Michele Tuttafesta and   
          Gianpiero Colonna and   
              Giuseppe Pascazio   Computing unsteady compressible flows
                                  using Roe's flux-difference splitting
                                  scheme on GPUs . . . . . . . . . . . . . 1497--1510
              Shanshan Wang and   
                   Luming Zhang   An efficient split-step compact finite
                                  difference method for cubic-quintic
                                  complex Ginzburg--Landau equations . . . 1511--1521
           Jacob Finkenrath and   
         Francesco Knechtli and   
               Björn Leder   Fermions as global correction: the QCD
                                  case . . . . . . . . . . . . . . . . . . 1522--1534
     Ydalia Delgado Mercado and   
        Christof Gattringer and   
              Alexander Schmidt   Surface worm algorithm for abelian
                                  Gauge--Higgs systems on the lattice  . . 1535--1546
             Haruhiko Kohno and   
           Jean-Christophe Nave   A new method for the level set equation
                                  using a hierarchical-gradient truncation
                                  and remapping technique  . . . . . . . . 1547--1554
                    Y. Feng and   
                    T. Lunt and   
                  F. Sardei and   
                         X. Zha   Implicit coupling of impurity transport
                                  at the SOL-core interface  . . . . . . . 1555--1561
               O. Zinchenko and   
             H. A. De Raedt and   
                   E. Detsi and   
                 P. R. Onck and   
             J. T. M. De Hosson   Nanoporous gold formation by dealloying:
                                  a Metropolis Monte Carlo study . . . . . 1562--1569
            M. Munoz Zuniga and   
              S. Kucherenko and   
                        N. Shah   Metamodelling with independent and
                                  dependent inputs . . . . . . . . . . . . 1570--1580
        Bahaaudin M. Raffah and   
                 Paul C. Abbott   Efficient computation of
                                  Wigner--Eisenbud functions . . . . . . . 1581--1591
             M. V. Stoitsov and   
                 N. Schunck and   
             M. Kortelainen and   
                  N. Michel and   
                     H. Nam and   
                   E. Olsen and   
                  J. Sarich and   
                        S. Wild   Axially deformed solution of the
                                  Skyrme--Hartree--Fock--Bogoliubov
                                  equations using the transformed harmonic
                                  oscillator basis (II) hfbtho v2.00d: a
                                  new version of the program . . . . . . . 1592--1604
        Robert V. Harlander and   
             Stefan Liebler and   
                Hendrik Mantler   SusHi: a program for the calculation of
                                  Higgs production in gluon fusion and
                                  bottom-quark annihilation in the
                                  Standard Model and the MSSM  . . . . . . 1605--1617
             Silvia Bahmann and   
                    Jens Kortus   EVO --- Evolutionary algorithm for
                                  crystal structure prediction . . . . . . 1618--1625
                    Jun Gao and   
               Zhihua Liang and   
           Davison E. Soper and   
             Hung-Liang Lai and   
          Pavel M. Nadolsky and   
                     C.-P. Yuan   MEKS: a program for computation of
                                  inclusive jet cross sections at hadron
                                  colliders  . . . . . . . . . . . . . . . 1626--1642

Computer Physics Communications
Volume 184, Number 7, July, 2013

                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
             Bogdan Caruntu and   
                Constantin Bota   Approximate polynomial solutions of the
                                  nonlinear Lane--Emden type equations
                                  arising in astrophysics using the
                                  squared remainder minimization method    1643--1648
             Won-Kwang Park and   
                   Taehoon Park   Multi-frequency based location search
                                  algorithm of small electromagnetic
                                  inhomogeneities embedded in two-layered
                                  medium . . . . . . . . . . . . . . . . . 1649--1659
             Zhaopeng Zhong and   
             Alberto Talamo and   
                   Yousry Gohar   Monte Carlo and deterministic
                                  computational methods for the
                                  calculation of the effective delayed
                                  neutron fraction . . . . . . . . . . . . 1660--1665
            Krzysztof Cichy and   
     Agnieszka Kujawa-Cichy and   
            Marcin Szyniszewski   Lattice Hamiltonian approach to the
                                  massless Schwinger model: Precise
                                  extraction of the mass gap . . . . . . . 1666--1672
             Romain Garnier and   
         André Barka and   
                 Olivier Pascal   Efficient periodic band diagram
                                  computation using a finite element
                                  method, Arnoldi eigensolver and sparse
                                  linear system solver . . . . . . . . . . 1673--1682
            Christian Ringl and   
            Herbert M. Urbassek   A simple algorithm for constructing
                                  fractal aggregates with pre-determined
                                  fractal dimension  . . . . . . . . . . . 1683--1685
          P. Van Liedekerke and   
                  B. Smeets and   
                T. Odenthal and   
                E. Tijskens and   
                       H. Ramon   Solving microscopic flow problems using
                                  Stokes equations in SPH  . . . . . . . . 1686--1696
      Éric Germaneau and   
                    Gang Su and   
                Qing-Rong Zheng   Implementation of the modified
                                  Becke--Johnson meta-GGA functional in
                                  Quantum Espresso . . . . . . . . . . . . 1697--1700
              Qingang Xiong and   
                      Bo Li and   
                          Ji Xu   GPU-accelerated adaptive particle
                                  splitting and merging in SPH . . . . . . 1701--1707
         Victor G. L. Alves and   
          Simone C. Cardoso and   
             Ademir X. da Silva   Gafchromic EBT2 dosimetry via robust
                                  optimization . . . . . . . . . . . . . . 1708--1716
                 I. M. Khan and   
                M. Poursina and   
                 K. S. Anderson   Model transitions and optimization
                                  problem in multi-flexible-body systems:
                                  Application to modeling molecular
                                  systems  . . . . . . . . . . . . . . . . 1717--1728
          Alexander Belyaev and   
        Neil D. Christensen and   
               Alexander Pukhov   CalcHEP 3.4 for collider physics within
                                  and beyond the Standard Model  . . . . . 1729--1769
                  M. P. Ruffoni   The FTS Atomic Spectrum Tool (FAST) for
                                  rapid analysis of line spectra . . . . . 1770--1776
       Ondrej Certík and   
               John E. Pask and   
      Jirí Vackár   \tt dftatom: a robust and general
                                  Schrödinger and Dirac solver for atomic
                                  structure calculations . . . . . . . . . 1777--1791
                  Florian Staub   SARAH 3.2: Dirac gauginos, UFO output,
                                  and more . . . . . . . . . . . . . . . . 1792--1809
                      O. Coufal   A method for the accurate and smooth
                                  approximation of standard thermodynamic
                                  functions  . . . . . . . . . . . . . . . 1810--1811
               I. V. Grossu and   
               S. A. El-Shamali   Hyper-Fractal Analysis v04:
                                  Implementation of a fuzzy box-counting
                                  algorithm for image analysis of artistic
                                  works  . . . . . . . . . . . . . . . . . 1812--1813

Computer Physics Communications
Volume 184, Number 8, August, 2013

                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
                Nazim Dugan and   
             Luigi Genovese and   
               Stefan Goedecker   A customized $3$D GPU Poisson solver for
                                  free boundary conditions . . . . . . . . 1815--1820
                   Y. C. Ou and   
                 Y. H. Chiu and   
                   J. M. Lu and   
                   W. P. Su and   
                      M. F. Lin   Electric modulation effect on
                                  magneto-optical spectrum of monolayer
                                  graphene . . . . . . . . . . . . . . . . 1821--1826
              Nicola Varini and   
            Davide Ceresoli and   
         Layla Martin-Samos and   
               Ivan Girotto and   
                Carlo Cavazzoni   Enhancement of DFT-calculations at
                                  petascale: Nuclear Magnetic Resonance,
                                  Hybrid Density Functional Theory and
                                  Car--Parrinello calculations . . . . . . 1827--1833
   Frederick Ira Moxley III and   
             David T. Chuss and   
                   Weizhong Dai   A generalized finite-difference
                                  time-domain scheme for solving nonlinear
                                  Schrödinger equations . . . . . . . . . . 1834--1841
                T. Makkonen and   
                   M. Groth and   
               M. I. Airila and   
                     R. Dux and   
                  A. Janzer and   
            T. Kurki-Suonio and   
                    T. Lunt and   
              H. W. Mueller and   
              T. Puetterich and   
                 E. Viezzer and   
             ASDEX Upgrade team   Synthetic Doppler spectroscopy and
                                  curvilinear camera diagnostics in the
                                  ERO code . . . . . . . . . . . . . . . . 1842--1847
     J. M. Domínguez and   
            A. J. C. Crespo and   
         D. Valdez-Balderas and   
               B. D. Rogers and   
       M. Gómez-Gesteira   New multi-GPU implementation for
                                  smoothed particle hydrodynamics on
                                  heterogeneous clusters . . . . . . . . . 1848--1860
      Rostam Golesorkhtabar and   
            Pasquale Pavone and   
       Jürgen Spitaler and   
             Peter Puschnig and   
                  Claudia Draxl   ElaStic: a tool for calculating
                                  second-order elastic constants from
                                  first principles . . . . . . . . . . . . 1861--1873
           Rooholah Abedian and   
           Hojatollah Adibi and   
                  Mehdi Dehghan   A high-order weighted essentially
                                  non-oscillatory (WENO) finite difference
                                  scheme for nonlinear degenerate
                                  parabolic equations  . . . . . . . . . . 1874--1888
               Fatin Sezgin and   
            Tevfik Metin Sezgin   Finding the best portable congruential
                                  random number generators . . . . . . . . 1889--1897
                    Hua Guo and   
               Peter Arbenz and   
                Benedikt Oswald   A large-scale nonlinear eigensolver for
                                  the analysis of dispersive
                                  nanostructures . . . . . . . . . . . . . 1898--1906
         Mario Schröck and   
                    Hannes Vogt   Coulomb, Landau and maximally Abelian
                                  gauge fixing in lattice QCD with
                                  multi-GPUs . . . . . . . . . . . . . . . 1907--1919
        Zelimir Marojevi\'c and   
      Ertan Göklü and   
          Claus Lämmerzahl   Energy eigenfunctions of the $1$D
                                  Gross--Pitaevskii equation . . . . . . . 1920--1930
         Thomas Fischbacher and   
 Franziska Synatschke-Czerwonka   FlowPy --- a numerical solver for
                                  functional renormalization group
                                  equations  . . . . . . . . . . . . . . . 1931--1945
                 G. Opletal and   
             T. C. Petersen and   
                I. K. Snook and   
                    S. P. Russo   HRMC\_2.0: Hybrid Reverse Monte Carlo
                                  method with silicon, carbon and
                                  germanium potentials . . . . . . . . . . 1946--1957
              Ian A. Cosden and   
              Jennifer R. Lukes   A hybrid atomistic-continuum model for
                                  fluid flow using LAMMPS and OpenFOAM . . 1958--1965
                    Bo Xiao and   
                   Hao Wang and   
                   Shou-hua Zhu   A simple algorithm for automatic Feynman
                                  diagram generation . . . . . . . . . . . 1966--1972
              Zhi-Wei Huang and   
                    Jueping Liu   NumExp: Numerical epsilon expansion of
                                  hypergeometric functions . . . . . . . . 1973--1980
               Simon Badger and   
        Benedikt Biedermann and   
                 Peter Uwer and   
                  Valery Yundin   Numerical evaluation of virtual
                                  corrections to multi-jet production in
                                  massless QCD . . . . . . . . . . . . . . 1981--1998
                G. Beliakov and   
               D. Creighton and   
               M. Johnstone and   
                      T. Wilkin   Efficient implementation of Bailey and
                                  Borwein pseudo-random number generator
                                  based on normal numbers  . . . . . . . . 1999--2004
                   Akira SaiToh   ZKCM: a C++ library for multiprecision
                                  matrix computation with applications in
                                  quantum information  . . . . . . . . . . 2005--2020
               F. E. Mackay and   
            S. T. T. Ollila and   
                   C. Denniston   Hydrodynamic forces implemented into
                                  LAMMPS through a lattice-Boltzmann fluid 2021--2031
             Jingjing Zheng and   
Rubén Meana-Pañeda and   
              Donald G. Truhlar   MSTor version 2013: a new version of the
                                  computer code for the multi-structural
                                  torsional anharmonicity, now with a
                                  coupled torsional potential  . . . . . . 2032--2033

Computer Physics Communications
Volume 184, Number 9, September, 2013

                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
                Xiangwen Lu and   
                Jiabin Yuan and   
                   Weiwei Zhang   Workflow of the Grover algorithm
                                  simulation incorporating CUDA and GPGPU  2035--2041
              Matthias Bach and   
        Volker Lindenstruth and   
              Owe Philipsen and   
              Christopher Pinke   Lattice QCD based on OpenCL  . . . . . . 2042--2052
               M. Brambilla and   
                      R. Bilato   An efficient interface between the
                                  solvers of Maxwell's equations and of
                                  the quasilinear kinetic equation for
                                  simulations of ion cyclotron heating in
                                  tokamak plasmas  . . . . . . . . . . . . 2053--2060
                 Aditya Kaushik   Iterative analytic approximation to
                                  nonlinear convection dominated systems   2061--2069
               J.-H. Koehne and   
                K. Frantzen and   
                 M. Schmitz and   
                   T. Fuchs and   
                   W. Rhode and   
                 D. Chirkin and   
                 J. Becker Tjus   PROPOSAL: a tool for propagation of
                                  charged leptons  . . . . . . . . . . . . 2070--2090
                   Qing Hou and   
                     Min Li and   
                  Yulu Zhou and   
                Jiechao Cui and   
                Zhenguo Cui and   
                       Jun Wang   Molecular dynamics simulations with
                                  many-body potentials on multiple
                                  GPUs-The implementation, package and
                                  performance  . . . . . . . . . . . . . . 2091--2101
            Kris T. Delaney and   
           Glenn H. Fredrickson   Polymer field-theory simulations on
                                  graphics processing units  . . . . . . . 2102--2110
             Guang-Rui Qian and   
                  Xiao Dong and   
            Xiang-Feng Zhou and   
               Yongjun Tian and   
            Artem R. Oganov and   
                  Hui-Tian Wang   Variable cell nudged elastic band method
                                  for studying solid-solid structural
                                  phase transitions  . . . . . . . . . . . 2111--2118
   Pavel Augustinský and   
                      Jan Kunes   Improved Green's function measurement
                                  for hybridization expansion quantum
                                  Monte Carlo  . . . . . . . . . . . . . . 2119--2126
             M. Rewie\'nski and   
                 A. Lamecki and   
                   M. Mrozowski   An extended basis inexact shift-invert
                                  Lanczos for the efficient solution of
                                  large-scale generalized eigenproblems    2127--2135
               Yinlong Zhao and   
               Zhiliang Lin and   
                    Shijun Liao   An iterative HAM approach for nonlinear
                                  boundary value problems in a
                                  semi-infinite domain . . . . . . . . . . 2136--2144
              Mehdi Dehghan and   
                  Ahmad Nikpour   The solitary wave solution of coupled
                                  Klein--Gordon--Zakharov equations via
                                  two different numerical methods  . . . . 2145--2158
                 Yohei Miki and   
          Daisuke Takahashi and   
                     Masao Mori   Highly scalable implementation of an
                                  $N$-body code on a GPU cluster . . . . . 2159--2168
              Harpreet Kaur and   
               R. C. Mittal and   
                   Vinod Mishra   Haar wavelet approximate solutions for
                                  the generalized Lane--Emden equations
                                  arising in astrophysics  . . . . . . . . 2169--2177
        Fatih Özkaynak and   
                    Sirma Yavuz   Security problems for a pseudorandom
                                  sequence generator based on the Chen
                                  chaotic system . . . . . . . . . . . . . 2178--2181
               Minghui Wang and   
                      Wenhao Ma   A structure-preserving method for the
                                  quaternion LU decomposition in
                                  quaternionic quantum theory  . . . . . . 2182--2186
             C. Nazé and   
            E. Gaidamauskas and   
                G. Gaigalas and   
               M. Godefroid and   
                P. Jönsson   ris 3: a program for relativistic
                                  isotope shift calculations . . . . . . . 2187--2196
            P. Jönsson and   
                G. Gaigalas and   
                J. Biero\'n and   
          C. Froese Fischer and   
                    I. P. Grant   New version: Grasp 2 K relativistic
                                  atomic structure package . . . . . . . . 2197--2203
                  J. Mikram and   
                  F. Zinoun and   
                A. El Abdllaoui   POINCARÉ CODE: a package of open-source
                                  implements for normalization and
                                  computer algebra reduction near
                                  equilibria of coupled ordinary
                                  differential equations . . . . . . . . . 2204--2213
           Nathan Whitehorn and   
           Jakob van Santen and   
                   Sven Lafebre   Penalized splines for smooth
                                  representation of high-dimensional Monte
                                  Carlo datasets . . . . . . . . . . . . . 2214--2220
               Beibei Huang and   
             Vladimir A. Baulin   IPEC Solver: Numerical simulation tool
                                  to study inter-polyelectrolyte
                                  complexation . . . . . . . . . . . . . . 2221--2229
                 Sam J. Cipolla   Corrected ISICS program versions
                                  available due to a minor calculation
                                  error involving M3 X-ray production
                                  cross sections . . . . . . . . . . . . . 2230--2231
                Matej Batic and   
           Maria Grazia Pia and   
                 Sam J. Cipolla   Corrected ISICSoo class version  . . . . 2232--2233

Computer Physics Communications
Volume 184, Number 10, October, 2013

                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
                 S. Bogneri and   
                 A. Bulgacx and   
                J. Carlsonf and   
                  J. Engelt and   
                   G. Fannj and   
           R. J. Furnstahlm and   
               S. Gandolfif and   
                  G. Hagenl and   
                  M. Horoid and   
                C. Johnsonq and   
            M. Kortelainenu and   
                   E. Luska and   
                  P. Marise and   
                    H. Namk and   
               P. Navratilh and   
             W. Nazarewiczu and   
                     E. Ngg and   
            G. P. A. Nobrec and   
                 E. Ormandh and   
             T. Papenbrockl and   
                    J. Peiu and   
              S. C. Pieperb and   
              S. Quaglionih and   
               K. J. Rocheo and   
                 J. Saricha and   
                N. Schunckh and   
              M. Sosonkinan and   
               J. Terasakiv and   
               I. Thompsonh and   
                J. P. Varye and   
                    S. M. Wilda   Computational nuclear quantum many-body
                                  problem: the UNEDF project . . . . . . . 2235--2250
             Deuk-Chul Kwon and   
              Mi-Young Song and   
              Jung-Sik Yoon and   
                   Nam-Sik Yoon   A feed-back control approach for global
                                  simulation of high density plasma
                                  discharges . . . . . . . . . . . . . . . 2251--2256
               Pawel Dlotko and   
                 Ruben Specogna   Physics inspired algorithms for
                                  (co)homology computations of
                                  three-dimensional combinatorial
                                  manifolds with boundary  . . . . . . . . 2257--2266
                     L. Luo and   
                   T. Rafiq and   
                    A. H. Kritz   Improved multi-mode anomalous transport
                                  module for tokamak plasmas . . . . . . . 2267--2276
                   D. Kumar and   
                A. K. Patra and   
               E. B. Pitman and   
                         H. Chi   Parallel Godunov smoothed particle
                                  hydrodynamics (SPH) with improved
                                  treatment of Boundary Conditions and an
                                  application to granular flows  . . . . . 2277--2286
        Daniil A. Andrienko and   
        Sergey T. Surzhikov and   
                Joseph S. Shang   Spherical harmonics method applied to
                                  the multi-dimensional radiation transfer 2287--2298
                C. Montoliu and   
                N. Ferrando and   
      M. A. Gosálvez and   
            J. Cerdá and   
                    R. J. Colom   Implementation and evaluation of the
                                  Level Set method: Towards efficient and
                                  accurate simulation of wet etching for
                                  microengineering applications  . . . . . 2299--2309
             Mauro Lapelosa and   
              Cameron F. Abrams   Transition-path theory calculations on
                                  non-uniform meshes in two and three
                                  dimensions using finite elements . . . . 2310--2315
                Reza Kamali and   
                   Ali Kharazmi   Investigation of multiscale fluid flow
                                  characteristics based on a hybrid
                                  atomistic-continuum method . . . . . . . 2316--2320
                  A. Arbona and   
                A. Artigues and   
              C. Bona-Casas and   
            J. Massó and   
           B. Miñano and   
                    A. Rigo and   
                   M. Trias and   
                        C. Bona   Simflowny: a general-purpose platform
                                  for the management of physical models
                                  and simulation problems  . . . . . . . . 2321--2331
          Vladimir V. Bytev and   
       Mikhail Yu. Kalmykov and   
                Bernd A. Kniehl   HYPERDIRE, HYPERgeometric functions
                                  DIfferential REduction:
                                  Mathematica-based packages for
                                  differential reduction of generalized
                                  hypergeometric functions $ {}_p F_{p -
                                  1}, F_1, F_2, F_3, F_4 $ . . . . . . . . 2332--2342
       Sergey G. Bondarenko and   
             Andrey A. Sapronov   NLO EW and QCD proton-proton cross
                                  section calculations with \tt
                                  mcsanc-v1.01 . . . . . . . . . . . . . . 2343--2350
            M. D. J. Hollis and   
                M. Tessenyi and   
                     G. Tinetti   tau: a $1$D radiative transfer code for
                                  transmission spectroscopy of extrasolar
                                  planet atmospheres . . . . . . . . . . . 2351--2361
                        Jun Gao   CIJET: a program for computation of jet
                                  cross sections induced by quark contact
                                  interactions at hadron colliders . . . . 2362--2366
              L. Yu. Barash and   
                   L. N. Shchur   RNGSSELIB: Program library for random
                                  number generation. More generators,
                                  parallel streams of random numbers and
                                  Fortran compatibility  . . . . . . . . . 2367--2369

Computer Physics Communications
Volume 184, Number 11, November, 2013

                      Anonymous   Editorial Board  . . . . . . . . . . . . ??
           Roberto da Silva and   
      Henrique A. Fernandes and   
J. R. Drugowich de Felício and   
              Wagner Figueiredo   Novel considerations about the
                                  non-equilibrium regime of the
                                  tricritical point in a metamagnetic
                                  model: Localization and tricritical
                                  exponents  . . . . . . . . . . . . . . . 2371--2377
                  Y.-J. Lin and   
                M. R. Smith and   
                  F.-A. Kuo and   
                 H. M. Cave and   
                J.-C. Huang and   
                       J.-S. Wu   A true-direction reconstruction of the
                                  quiet direct simulation method for
                                  inviscid gas flows . . . . . . . . . . . 2378--2390
                 J. Kuipers and   
                   A. Plaat and   
        J. A. M. Vermaseren and   
            H. J. van den Herik   Improving multivariate Horner schemes
                                  with Monte Carlo tree search . . . . . . 2391--2395
                  Wei Jiang and   
               Hanquan Wang and   
                    Xianggui Li   A numerical study of the ground state
                                  and dynamics of atomic-molecular
                                  Bose--Einstein condensates . . . . . . . 2396--2407
                    Wei Shi and   
                     Xinyuan Wu   A note on symplectic and symmetric ARKN
                                  methods  . . . . . . . . . . . . . . . . 2408--2411
                  S. Norris and   
             A. Vikartofsky and   
               R. E. Wagner and   
                      Q. Su and   
                       R. Grobe   Absorbing-like boundaries for quantum
                                  field theoretical grid simulations . . . 2412--2418
                  F. Hariri and   
                   M. Ottaviani   A flux-coordinate independent
                                  field-aligned approach to plasma
                                  turbulence simulations . . . . . . . . . 2419--2429
           Lajos Szalmás   Accelerated discrete velocity method for
                                  axial-symmetric flows of gaseous
                                  mixtures as defined by the McCormack
                                  kinetic model  . . . . . . . . . . . . . 2430--2437
                    M. Wiebusch   Numerical computation of $p$-values with
                                  myFitter . . . . . . . . . . . . . . . . 2438--2445
    Nicolas Blöchliger and   
            Andreas Vitalis and   
                Amedeo Caflisch   A scalable algorithm to order and
                                  annotate continuous observations reveals
                                  the metastable states visited by
                                  dynamical systems  . . . . . . . . . . . 2446--2453
                  Sibo Wang and   
                   Junbo Xu and   
                        Hao Wen   Accelerating dissipative particle
                                  dynamics with multiple GPUs  . . . . . . 2454--2461
                 S. Maeyama and   
                A. Ishizawa and   
             T.-H. Watanabe and   
                N. Nakajima and   
               S. Tsuji-Iio and   
                     H. Tsutsui   Numerical techniques for parallel
                                  dynamics in electromagnetic gyrokinetic
                                  Vlasov simulations . . . . . . . . . . . 2462--2473
         Nkosinathi Dlamini and   
               Alessandro Sergi   Quantum dynamics in classical thermal
                                  baths  . . . . . . . . . . . . . . . . . 2474--2477
          Edoardo Di Napoli and   
                 Mario Berljafa   Block iterative eigensolvers for
                                  sequences of correlated eigenvalue
                                  problems . . . . . . . . . . . . . . . . 2478--2488
                Zhijun Wang and   
                  Junjie Li and   
                 Yaolin Guo and   
                   Sai Tang and   
                  Jincheng Wang   Unique visualization of multiply
                                  oriented lattice structures using a
                                  continuous wavelet transform . . . . . . 2489--2493
               Feng-shun Lu and   
             Jun-qiang Song and   
               Wang-qun Lin and   
                Yu-fei Pang and   
                Kai-jun Ren and   
                  Pei-chang Shi   Efficient utilization of launched
                                  threads on GPUs: the spherical harmonic
                                  transform as a case study  . . . . . . . 2494--2502
                   Xinlu Xu and   
                Peicheng Yu and   
          Samual F. Martins and   
             Frank S. Tsung and   
            Viktor K. Decyk and   
               Jorge Vieira and   
         Ricardo A. Fonseca and   
                     Wei Lu and   
              Luis O. Silva and   
                 Warren B. Mori   Numerical instability due to
                                  relativistic plasma drift in EM--PIC
                                  simulations  . . . . . . . . . . . . . . 2503--2514
             Arno Mayrhofer and   
         Benedict D. Rogers and   
             Damien Violeau and   
                 Martin Ferrand   Investigation of wall bounded flows
                                  using SPH and the unified
                                  semi-analytical wall boundary conditions 2515--2527
        R. Capuzzo-Dolcetta and   
                       M. Spera   A performance comparison of different
                                  graphics processing units running direct
                                  $N$-body simulations . . . . . . . . . . 2528--2539
                Pengfei Wei and   
                Zhenzhou Lu and   
                   Jingwen Song   A new variance-based global sensitivity
                                  analysis technique . . . . . . . . . . . 2540--2551
             Sophia Borowka and   
                Gudrun Heinrich   Massive non-planar two-loop four-point
                                  integrals with SecDec 2.1  . . . . . . . 2552--2561
                 Hua-Sheng Shao   HELAC-Onia: an automatic matrix element
                                  generator for heavy quarkonium physics   2562--2570
                     C. Bae and   
               W. M. Stacey and   
                   T. D. Morley   GTROTA: a code for the solution of the
                                  coupled nonlinear extended neoclassical
                                  rotation equations in tokamak plasmas
                                  using successive over-relaxation and
                                  simulated annealing  . . . . . . . . . . 2571--2587
                     Ruben Otin   ERMES: a nodal-based finite element code
                                  for electromagnetic simulations in
                                  frequency domain . . . . . . . . . . . . 2588--2595
          Evgeny Z. Liverts and   
                     Nir Barnea   Three-body systems with Coulomb
                                  interaction. Bound and quasi-bound
                                  $S$-states . . . . . . . . . . . . . . . 2596--2603
                 H. Dreiner and   
                  K. Nickel and   
                   W. Porod and   
                       F. Staub   Full 1-loop calculation of $ B R(B^0_{s,
                                  d} \to \ell \bar {\ell }) $ in models
                                  beyond the MSSM with SARAH and SPheno    2604--2617
                 Benzhuo Lu and   
              Xiaolin Cheng and   
             Jingfang Huang and   
             J. Andrew McCammon   AFMPB: an adaptive fast multipole
                                  Poisson--Boltzmann solver for
                                  calculating electrostatics in
                                  biomolecular systems . . . . . . . . . . 2618--2619

Computer Physics Communications
Volume 184, Number 12, December, 2013

             Xavier Antoine and   
                 Weizhu Bao and   
               Christophe Besse   Computational methods for the dynamics
                                  of the nonlinear
                                  Schrödinger/Gross--Pitaevskii equations   2621--2633
            T. P. Straatsma and   
Daniel G. Chavarría-Miranda   On eliminating synchronous communication
                                  in molecular simulations to improve
                                  scalability  . . . . . . . . . . . . . . 2634--2640
 Szilárd Páll and   
                      Berk Hess   A flexible algorithm for calculating
                                  pair interactions on SIMD architectures  2641--2650
                D. Tordella and   
                 M. Iovieno and   
               S. Massaglia and   
                     A. Mignone   Large-eddy simulation of hypersonic
                                  flows. Selective procedure to activate
                                  the sub-grid model wherever small scale
                                  turbulence is present  . . . . . . . . . 2651--2661
                 Jason Mick and   
                Eyad Hailat and   
              Vincent Russo and   
            Kamel Rushaidat and   
           Loren Schwiebert and   
                 Jeffrey Potoff   GPU-accelerated Gibbs ensemble Monte
                                  Carlo simulations of Lennard-Jonesium    2662--2669
          Gregor Michalicek and   
           Markus Betzinger and   
        Christoph Friedrich and   
             Stefan Blügel   Elimination of the linearization error
                                  and improved basis-set convergence
                                  within the FLAPW method  . . . . . . . . 2670--2679
             Pawel Scharoch and   
               Maciej Winiarski   An efficient method of DFT/LDA band-gap
                                  correction . . . . . . . . . . . . . . . 2680--2683
           Hiroaki Ishizuka and   
           Masafumi Udagawa and   
               Yukitoshi Motome   Polynomial expansion Monte Carlo study
                                  of frustrated itinerant electron
                                  systems: Application to a spin-ice type
                                  Kondo lattice model on a pyrochlore
                                  lattice  . . . . . . . . . . . . . . . . 2684--2692
            Xiang-Wei Jiang and   
                Shu-Shen Li and   
                  Lin-Wang Wang   A small box Fast Fourier Transformation
                                  method for fast Poisson solutions in
                                  large systems  . . . . . . . . . . . . . 2693--2702
     Ignacio Martin-Bragado and   
             Antonio Rivera and   
             Gonzalo Valles and   
     Jose Luis Gomez-Selles and   
        María J. Caturla   MMonCa: an Object Kinetic Monte Carlo
                                  simulator for damage irradiation
                                  evolution and defect diffusion . . . . . 2703--2710
        A. L. Zheleznyakova and   
                S. T. Surzhikov   Molecular dynamics-based unstructured
                                  grid generation method for aerodynamic
                                  applications . . . . . . . . . . . . . . 2711--2727
                    Jun Yan and   
                     Lin Li and   
            Christopher O'Grady   Graphics Processing Unit acceleration of
                                  the Random Phase Approximation in the
                                  projector augmented wave method  . . . . 2728--2733
        Eike H. Müller and   
                Rupert Ford and   
            Matthew C. Hort and   
               Lois Huggett and   
               Graham Riley and   
               David J. Thomson   Parallelisation of the Lagrangian
                                  atmospheric dispersion model NAME  . . . 2734--2745
          P. R. O. da Silva and   
              F. W. S. Lima and   
              R. N. Costa Filho   Potts model with $ q = 3 $ and $4$
                                  states on directed small-world network   2746--2750
          R. G. M. van der Sman   Investigation of Lattice Boltzmann
                                  wetting boundary conditions for
                                  capillaries with irregular polygonal
                                  cross-section  . . . . . . . . . . . . . 2751--2760
          Calvin W. Johnson and   
            W. Erich Ormand and   
              Plamen G. Krastev   Factorization in large-scale many-body
                                  calculations . . . . . . . . . . . . . . 2761--2774
           Hiroshi Watanabe and   
              Masaru Suzuki and   
                   Nobuyasu Ito   Huge-scale molecular dynamics simulation
                                  of multibubble nuclei  . . . . . . . . . 2775--2784
           W. Michael Brown and   
                  Masako Yamada   Implementing molecular dynamics on
                                  hybrid high performance computers ---
                                  Three-body potentials  . . . . . . . . . 2785--2793
                Rudy Arthur and   
                  A. D. Kennedy   Monte Carlo integration with subtraction 2794--2802
               Andy Buckley and   
       Jonathan Butterworth and   
          David Grellscheid and   
              Hendrik Hoeth and   
         Leif Lönnblad and   
                 James Monk and   
              Holger Schulz and   
                  Frank Siegert   Rivet user manual  . . . . . . . . . . . 2803--2819
              A. V. Smirnov and   
                  V. A. Smirnov   FIRE4, LiteRed and accompanying tools to
                                  solve integration by parts relations . . 2820--2827
              Nikesh S. Dattani   FeynDyn: a MATLAB program for fast
                                  numerical Feynman integral calculations
                                  for open quantum system dynamics on GPUs 2828--2833
                    T. Loke and   
                     J. B. Wang   CUGatesDensity --- Quantum circuit
                                  analyser extended to density matrices    2834--2839
               M. A. Bernal and   
                 D. Sikansi and   
              F. Cavalcante and   
                 S. Incerti and   
                C. Champion and   
              V. Ivanchenko and   
                     Z. Francis   An atomistic geometrical model of the
                                  B-DNA configuration for DNA-radiation
                                  interaction simulations  . . . . . . . . 2840--2847
                   Zhi Yang and   
               Xing-Gang Wu and   
                  Xian-You Wang   BEEC: an event generator for simulating
                                  the $ B_c $ meson production at an $ e^+
                                  e^- $ collider . . . . . . . . . . . . . 2848--2855
             Christian Blau and   
              Helmut Grubmuller   g\_contacts: Fast contact search in
                                  bio-molecular ensemble data  . . . . . . 2856--2859
                   E. Sarti and   
                 S. Zamuner and   
                  P. Cossio and   
                    A. Laio and   
                    F. Seno and   
                     A. Trovato   BACHSCORE. A tool for evaluating
                                  efficiently and reliably the quality of
                                  large sets of protein structures . . . . 2860--2865


Computer Physics Communications
Volume 185, Number 1, January, 2014

             V. Khoromskaia and   
               B. N. Khoromskij   Mòller--Plesset (MP2) energy correction
                                  using tensor factorization of the
                                  grid-based two-electron integrals  . . . 2--10
Miguel Cárdenas-Montes and   
Miguel A. Vega-Rodríguez and   
        Christopher Bonnett and   
     Ignacio Sevilla-Noarbe and   
               Rafael Ponce and   
Eusebio Sánchez Alvaro and   
Juan José Rodríguez-Vázquez   GPU-based shear-shear correlation
                                  calculation  . . . . . . . . . . . . . . 11--18
               Xiaopeng Luo and   
                Zhenzhou Lu and   
                         Xin Xu   A fast computational method for
                                  moment-independent uncertainty
                                  importance measure . . . . . . . . . . . 19--27
                Zheyong Fan and   
             Andreas Uppstu and   
                  Topi Siro and   
                      Ari Harju   Efficient linear-scaling quantum
                                  transport calculations on graphics
                                  processing units and applications on
                                  electron transport in graphene . . . . . 28--39
         René Hammer and   
               Walter Pötz   Staggered grid leap-frog scheme for the
                                  $ (2 + 1)D $ Dirac equation  . . . . . . 40--52
                   Xin Bian and   
                   Marco Ellero   A splitting integration scheme for the
                                  SPH simulation of concentrated particle
                                  suspensions  . . . . . . . . . . . . . . 53--62
                Zhenlin Guo and   
                   Ping Lin and   
                   Yangfan Wang   Continuous finite element schemes for a
                                  phase field model in two-layer fluid
                                  Bénard--Marangoni convection computations 63--78
             Akira Kageyama and   
                  Tomoki Yamada   An approach to exascale visualization:
                                  Interactive viewing of in-situ
                                  visualization  . . . . . . . . . . . . . 79--85
                  A. Perona and   
                D. Borgogno and   
                 L.-G. Eriksson   A test electron model for the study of
                                  three dimensional magnetic reconnection
                                  effects  . . . . . . . . . . . . . . . . 86--95
                Wenjun Deng and   
                    Guo-Yong Fu   Optimization by marker removal for $
                                  \delta f $ particle simulations  . . . . 96--105
           Rooholah Abedian and   
           Hojatollah Adibi and   
                  Mehdi Dehghan   A high-order symmetrical weighted hybrid
                                  ENO-flux limiter scheme for hyperbolic
                                  conservation laws  . . . . . . . . . . . 106--127
                  J. Squire and   
                   J. Burby and   
                         H. Qin   VEST: Abstract vector calculus
                                  simplification in Mathematica  . . . . . 128--135
      Edgar A. Gómez and   
Saravana Prakash Thirumuruganandham and   
              Alejandro Santana   Split-operator technique for propagating
                                  phase space functions: Exploring
                                  chaotic, dissipative and relativistic
                                  dynamics . . . . . . . . . . . . . . . . 136--143
               Un-Hong Wong and   
             Hon-Cheng Wong and   
                     Yonghui Ma   Global magnetohydrodynamic simulations
                                  on multiple GPUs . . . . . . . . . . . . 144--152
     Truong Vinh Truong Duy and   
                  Taisuke Ozaki   A decomposition method with minimum
                                  communication amount for parallelization
                                  of multi-dimensional FFTs  . . . . . . . 153--164
         N. B. Marushchenko and   
                  Y. Turkin and   
                   H. Maassberg   Ray-tracing code TRAVIS for ECR heating,
                                  EC current drive and ECE diagnostic  . . 165--176
                        M. Dima   Flash vertexing algorithms for trigger
                                  applications . . . . . . . . . . . . . . 177--180
            Steven F. Henke and   
                Sachin Shanbhag   Mesh sensitivity in peridynamic
                                  simulations  . . . . . . . . . . . . . . 181--193
              Ulrich Hohenester   OCTBEC --- A Matlab toolbox for optimal
                                  quantum control of Bose--Einstein
                                  condensates  . . . . . . . . . . . . . . 194--216
                    S. Eder and   
                  A. Vernes and   
                        G. Betz   Methods and numerical aspects of
                                  nanoscopic contact area estimation in
                                  atomistic tribological simulations . . . 217--228
              N. Phan-Thien and   
                 N. Mai-Duy and   
                     D. Pan and   
                     B. C. Khoo   Exponential-time differencing schemes
                                  for low-mass DPD systems . . . . . . . . 229--235
            V. P. Druzhinin and   
         L. V. Kardapoltsev and   
                 V. A. Tayursky   GGRESRC: a Monte Carlo generator for the
                                  two-photon process $ e^+ e^- \to e^+ e^-
                                  R(J^{PC} = 0^{-+}) $ in the single-tag
                                  mode . . . . . . . . . . . . . . . . . . 236--243
           Daniel X. Ogburn and   
            Colin L. Waters and   
          Murray D. Sciffer and   
              Jeff A. Hogan and   
                 Paul C. Abbott   A finite difference construction of the
                                  spheroidal wave functions  . . . . . . . 244--253
               K. D. Launey and   
            S. Sarbadhicary and   
                 T. Dytrych and   
                  J. P. Draayer   Program in C for studying characteristic
                                  properties of two-body interactions in
                                  the framework of spectral distribution
                                  theory . . . . . . . . . . . . . . . . . 254--267
          Richard W. Bowman and   
           Graham M. Gibson and   
          Anna Linnenberger and   
          David B. Phillips and   
            James A. Grieve and   
          David M. Carberry and   
              Steven Serati and   
            Mervyn J. Miles and   
               Miles J. Padgett   ``Red Tweezers'': Fast, customisable
                                  hologram generation for optical tweezers 268--273
        Eduardo X. Miqueles and   
           Tiago A. Coimbra and   
             Bruno D. Amaro and   
         J. J. S. de Figueiredo   Analytical ray tracing system:
                                  Introducing \tt art, a C-library
                                  designed for seismic applications  . . . 274--293
      Aaron M. Tagliaboschi and   
               Jeremy B. Maddox   POTLIB2Math: a Mathematica interface to
                                  the potential energy surface library for
                                  chemical systems . . . . . . . . . . . . 294--301
              Soubhadra Sen and   
                  N. Mohankumar   Migpore, a code package for the
                                  estimation of migration of radioactive
                                  species in a porous medium . . . . . . . 302--306
                 J. Avellar and   
            L. G. S. Duarte and   
            L. A. C. P. da Mota   A Maple package to find first order
                                  differential invariants of 2ODEs via a
                                  Darboux approach . . . . . . . . . . . . 307--316
                  Toni Giorgino   Computing $1$-D atomic densities in
                                  macromolecular simulations: the density
                                  profile tool for VMD . . . . . . . . . . 317--322
                Karol Kolodziej   \tt carlomat, version 2 of the program
                                  for automatic computation of lowest
                                  order cross sections . . . . . . . . . . 323--329
              J. Buckeridge and   
              D. O. Scanlon and   
                   A. Walsh and   
                C. R. A. Catlow   Automated procedure to determine the
                                  thermodynamic stability of a material
                                  and the range of chemical potentials
                                  necessary for its formation relative to
                                  competing phases and compounds . . . . . 330--338
             Yuan-Pin Chang and   
            Frank Filsinger and   
          Boris G. Sartakov and   
             Jochen Küpper   CMIstark: Python package for the
                                  Stark-effect calculation and symmetry
                                  classification of linear, symmetric and
                                  asymmetric top wavefunctions in dc
                                  electric fields  . . . . . . . . . . . . 339--349
                A. A. Azooz and   
          Y. A. Al- Jawaady and   
                      Z. T. Ali   Langmuir probe RF plasma compensation
                                  using a simulation method  . . . . . . . 350--356
                  Qian Miao and   
                 Yunhu Wang and   
                  Yong Chen and   
                   Yunqing Yang   PDEBellII: a Maple package for finding
                                  bilinear forms, bilinear Bäcklund
                                  transformations, Lax pairs and
                                  conservation laws of the KdV-type
                                  equations  . . . . . . . . . . . . . . . 357--367
                   A. A. Babaev   Parallel code NSBC: Simulations of
                                  relativistic nuclei scattering by a bent
                                  crystal  . . . . . . . . . . . . . . . . 368--379
   E. V. Corrêa Silva and   
              G. A. Monerat and   
        G. de Oliveira Neto and   
           L. G. Ferreira Filho   Spectral: Solving Schroedinger and
                                  Wheeler--DeWitt equations in the
                                  positive semi-axis by the spectral
                                  method . . . . . . . . . . . . . . . . . 380--391
           Claudio A. Gelmi and   
         Héctor Jorquera   IDSOLVER: a general purpose solver for
                                  $n$ th-order integro-differential
                                  equations  . . . . . . . . . . . . . . . 392--397
             M. F. Ciappina and   
J. A. Pérez-Hernández and   
                  M. Lewenstein   ClassSTRONG: Classical simulations of
                                  strong field processes . . . . . . . . . 398--406
                 C. M. Dion and   
               A. Hashemloo and   
                      G. Rahali   Program for quantum wave-packet dynamics
                                  with time-dependent potentials . . . . . 407--414
               Petros Souvatzis   Uquantchem: a versatile and easy to use
                                  quantum chemistry computational software 415--421
             Giovanni Pizzi and   
               Dmitri Volja and   
             Boris Kozinsky and   
              Marco Fornari and   
                 Nicola Marzari   BoltzWann: a code for the evaluation of
                                  thermoelectric and electronic transport
                                  properties with a maximally-localized
                                  Wannier functions basis  . . . . . . . . 422--429
            G. F. Jefferson and   
                   J. Carminati   FracSym: Automated symbolic computation
                                  of Lie symmetries of fractional
                                  differential equations . . . . . . . . . 430--441
               Erhan Okuyan and   
        Ugur Güdükbay   BilKristal 2.0: a tool for pattern
                                  information extraction from crystal
                                  structures . . . . . . . . . . . . . . . 442--443

Computer Physics Communications
Volume 185, Number 2, February, 2014

          Uday K. Khankhoje and   
                 Thomas A. Cwik   A mesh reconfiguration scheme for
                                  speeding up Monte Carlo simulations of
                                  electromagnetic scattering by random
                                  rough surfaces . . . . . . . . . . . . . 445--447
        Nicolas Crouseilles and   
              Giovanni Manfredi   Asymptotic preserving schemes for the
                                  Wigner--Poisson--BGK equations in the
                                  diffusion limit  . . . . . . . . . . . . 448--458
               Yunbao Huang and   
               Shaoen Jiang and   
                  Haiyan Li and   
                  Qifu Wang and   
                    Liping Chen   Compressive analysis applied to
                                  radiation symmetry evaluation and
                                  optimization for laser-driven inertial
                                  confinement fusion . . . . . . . . . . . 459--471
              David Greynat and   
                   Javier Sesma   A new approach to the epsilon expansion
                                  of generalized hypergeometric functions  472--478
            Ghislain Tchuen and   
           Ferdinand Fogang and   
            Yves Burtschell and   
                     Paul Woafo   A hybrid numerical method and its
                                  application to inviscid compressible
                                  flow problems  . . . . . . . . . . . . . 479--488
                   Tian Qiu and   
               Teng-Yue Han and   
               Li-Xin Zhong and   
                Zi-Ke Zhang and   
                     Guang Chen   Redundant correlation effect on
                                  personalized recommendation  . . . . . . 489--494
                E. Westphal and   
                S. P. Singh and   
                C.-C. Huang and   
                 G. Gompper and   
                  R. G. Winkler   Multiparticle collision dynamics: GPU
                                  accelerated particle-based mesoscale
                                  hydrodynamic simulations . . . . . . . . 495--503
      Andrzej Ziólkowski   A numerical approach to nonlinear
                                  propagation of light in photorefractive
                                  media  . . . . . . . . . . . . . . . . . 504--511
           G. A. Panopoulos and   
                    T. E. Simos   A new phase-fitted eight-step symmetric
                                  embedded predictor-corrector method
                                  (EPCM) for orbital problems and related
                                  IVPs with oscillating solutions  . . . . 512--523
Niels Grònbech-Jensen and   
         Natha Robert Hayre and   
                    Oded Farago   Application of the G-JF discrete-time
                                  thermostat for fast and accurate
                                  molecular simulations  . . . . . . . . . 524--527
         Maik Höschele and   
                  Jens Hoff and   
                 Alexey Pak and   
       Matthias Steinhauser and   
                  Takahiro Ueda   MT: a Mathematica package to compute
                                  convolutions . . . . . . . . . . . . . . 528--539
              M. Tuttafesta and   
                A. D'Angola and   
             A. Laricchiuta and   
                 P. Minelli and   
               M. Capitelli and   
                     G. Colonna   GPU and multi-core based Reaction
                                  Ensemble Monte Carlo method for
                                  non-ideal thermodynamic systems  . . . . 540--549
              M. Baity-Jesi and   
         R. A. Baños and   
                    A. Cruz and   
            L. A. Fernandez and   
          J. M. Gil-Narvion and   
       A. Gordillo-Guerrero and   
          D. Iñiguez and   
                A. Maiorano and   
               F. Mantovani and   
                E. Marinari and   
            V. Martin-Mayor and   
         J. Monforte-Garcia and   
     A. Muñoz Sudupe and   
                 D. Navarro and   
                  G. Parisi and   
            S. Perez-Gaviro and   
                 M. Pivanti and   
         F. Ricci-Tersenghi and   
         J. J. Ruiz-Lorenzo and   
             S. F. Schifano and   
                  B. Seoane and   
               A. Tarancond and   
             R. Tripiccione and   
                     D. Yllanes   Janus II: A new generation
                                  application-driven computer for
                                  spin-system simulations  . . . . . . . . 550--559
                  S. Alioli and   
                  S. Badger and   
                   J. Bellm and   
              B. Biedermann and   
                F. Boudjema and   
                  G. Cullen and   
                  A. Denner and   
             H. van Deurzen and   
               S. Dittmaier and   
                R. Frederix and   
                S. Frixione and   
             M. V. Garzelli and   
                 S. Gieseke and   
            E. W. N. Glover and   
                 N. Greiner and   
                G. Heinrich and   
                 V. Hirschi and   
              S. Höche and   
                  J. Huston and   
                     H. Ita and   
                   N. Kauer and   
                  F. Krauss and   
                 G. Luisoni and   
               D. Ma\^\itre and   
                 F. Maltoni and   
                   P. Nason and   
                  C. Oleari and   
                  R. Pittau and   
            S. Plätzer and   
               S. Pozzorini and   
                   L. Reina and   
                C. Reuschle and   
                  T. Robens and   
                 J. Schlenk and   
          M. Schönherr and   
                 F. Siegert and   
 J. F. von Soden-Fraunhofen and   
                F. Tackmann and   
              F. Tramontano and   
                    P. Uwer and   
                   G. Salam and   
                  P. Skands and   
               S. Weinzierl and   
                  J. Winter and   
                  V. Yundin and   
              G. Zanderighi and   
                        M. Zaro   Update of the Binoth Les Houches Accord
                                  for a standard interface between Monte
                                  Carlo tools and one-loop programs  . . . 560--571
             Yueh-Cheng Kuo and   
                  Tsung-Lin Lee   Tracking local optimality for cost
                                  parameterized optimization problems  . . 572--577
             J. M. TenBarge and   
                G. G. Howes and   
                 W. Dorland and   
                  G. W. Hammett   An oscillating Langevin antenna for
                                  driving plasma turbulence simulations    578--589
       L. J. Höök and   
                     T. Johnson   Composition schemes for the stochastic
                                  differential equation describing
                                  collisional pitch-angle diffusion  . . . 590--594
     Antonio Souto-Iglesias and   
           Fabricio Maci\`a and   
     Leo M. González and   
            Jose L. Cercos-Pita   Addendum to ``On the consistency of
                                  MPS'' [Comput. Phys. Comm. \bf 184 (3)
                                  (2013) 732--745] . . . . . . . . . . . . 595--598
                   I. M. Sitnik   Development of the FUMILI minimization
                                  package  . . . . . . . . . . . . . . . . 599--603
         Gareth A. Tribello and   
        Massimiliano Bonomi and   
          Davide Branduardi and   
            Carlo Camilloni and   
                 Giovanni Bussi   PLUMED 2: New feathers for an old bird   604--613
              C. Schimeczek and   
                      G. Wunner   Accurate $2$ d finite element
                                  calculations for hydrogen in magnetic
                                  fields of arbitrary strength . . . . . . 614--621
               Brandon Murakami   SuperLFV: an SLHA tool for lepton flavor
                                  violating observables in supersymmetric
                                  models . . . . . . . . . . . . . . . . . 622--637
                   A. Bueno and   
               A. Gascón   CORSIKA implementation of heavy quark
                                  production and propagation in extensive
                                  air showers  . . . . . . . . . . . . . . 638--650
                  D. Schick and   
                  A. Bojahr and   
                  M. Herzog and   
                 R. Shayduk and   
     C. von Korff Schmising and   
                    M. Bargheer   \sc udkm1Dsim --- a simulation toolkit
                                  for $1$D ultrafast dynamics in condensed
                                  matter . . . . . . . . . . . . . . . . . 651--660
                    S. Rama and   
          C. Surendra Dilip and   
        Rajesh Narayana Perumal   A software program to investigate the
                                  nucleation kinetics of solution grown
                                  crystals using MATLAB platform . . . . . 661--669
                  Hua-sheng Xie   PDRF: a general dispersion relation
                                  solver for magnetized multi-fluid plasma 670--675
     Sandro Giuseppe Chiodo and   
              Monica Leopoldini   MolSOC: a spin-orbit coupling code . . . 676--683
        David A. Bonhommeau and   
           Marie-Pierre Gaigeot   MDMC$^2$: a molecular dynamics code for
                                  investigating the fragmentation dynamics
                                  of multiply charged clusters . . . . . . 684--694
            M. D. J. Hollis and   
                M. Tessenyi and   
                     G. Tinetti   \tt tau: a $1$D radiative transfer code
                                  for transmission spectroscopy of
                                  extrasolar planet atmospheres  . . . . . 695--695

Computer Physics Communications
Volume 185, Number 3, March, 2014

               Ianik Plante and   
                Luc Devroye and   
           Francis A. Cucinotta   Calculations of distance distributions
                                  and probabilities of binding by ligands
                                  between parallel plane membranes
                                  comprising receptors . . . . . . . . . . 697--707
            Viktor K. Decyk and   
              Tajendra V. Singh   Particle-in-Cell algorithms for emerging
                                  computer architectures . . . . . . . . . 708--719
      Christopher D. Cooper and   
         Jaydeep P. Bardhan and   
                    L. A. Barba   A biomolecular electrostatics solver
                                  using Python, GPUs and boundary elements
                                  that can handle solvent-filled cavities
                                  and Stern layers . . . . . . . . . . . . 720--729
           Daniele Barettin and   
                   Paolo Sibani   Optimization by record dynamics  . . . . 730--735
                D. L. Green and   
                    L. A. Berry   Iterative addition of parallel
                                  temperature effects to finite-difference
                                  simulation of radio-frequency wave
                                  propagation in plasmas . . . . . . . . . 736--743
                    X. Pang and   
                    L. Rybarcyk   GPU accelerated online multi-particle
                                  beam dynamics simulator for ion linear
                                  particle accelerators  . . . . . . . . . 744--753
                      Bo Li and   
              Keisuke Fujii and   
                   Yuanning Gao   Kalman-filter-based track fitting in
                                  non-uniform magnetic field with
                                  segment-wise helical track model . . . . 754--761
              David W. Schwenke   On the computation of high order Rys
                                  quadrature weights and nodes . . . . . . 762--763
            H. Grimm-Strele and   
                   F. Kupka and   
                  H. J. Muthsam   Curvilinear grids for WENO methods in
                                  astrophysical simulations  . . . . . . . 764--776
     Truong Vinh Truong Duy and   
                  Taisuke Ozaki   A three-dimensional domain decomposition
                                  method for large-scale DFT electronic
                                  structure calculations . . . . . . . . . 777--789
                Hai-Wei Sun and   
                  Leonard Z. Li   A CCD--ADI method for unsteady
                                  convection-diffusion equations . . . . . 790--797
                 Yufeng Nie and   
               Weiwei Zhang and   
                     Nan Qi and   
                     Yiqiang Li   Parallel node placement method by bubble
                                  simulation . . . . . . . . . . . . . . . 798--808
                Manoj Kumar and   
                   Sapna Pandit   A composite numerical scheme for the
                                  numerical simulation of coupled Burgers'
                                  equation . . . . . . . . . . . . . . . . 809--817
   Ravishankar Sundararaman and   
                    T. A. Arias   Efficient classical density-functional
                                  theories of rigid-molecular fluids and a
                                  simplified free energy functional for
                                  liquid water . . . . . . . . . . . . . . 818--825
             Sabrina Stella and   
           Roberto Chignola and   
                Edoardo Milotti   Efficient and extendible class scheme
                                  for the combined reaction-diffusion of
                                  multiple molecular species . . . . . . . 826--835
              Hailing Xiong and   
                    Hang Li and   
               Weiping Chen and   
                    Laosheng Wu   Data structure for on-lattice
                                  cluster-cluster aggregation model
                                  performance optimization . . . . . . . . 836--840
         Kasper R. Kuijpers and   
    Lilian de Martín and   
              J. Ruud van Ommen   Optimizing off-lattice Diffusion-Limited
                                  Aggregation  . . . . . . . . . . . . . . 841--846
             Matt Landreman and   
                 Adam Stahl and   
     Tünde Fülöp   Numerical calculation of the runaway
                                  electron distribution function and
                                  associated synchrotron emission  . . . . 847--855
                   Miao Gao and   
             Gui-Ping Zhang and   
                    Zhong-Yi Lu   Electronic transport of a large scale
                                  system studied by renormalized transfer
                                  matrix method: Application to armchair
                                  graphene nanoribbons between quantum
                                  wires  . . . . . . . . . . . . . . . . . 856--861
                   Hui Wang and   
                      Bo Wu and   
             Zhixiang Huang and   
                   Xianliang Wu   A symplectic FDTD algorithm for the
                                  simulations of lossy dispersive
                                  materials  . . . . . . . . . . . . . . . 862--872
               Fabiano Corsetti   The orbital minimization method for
                                  electronic structure calculations with
                                  finite-range atomic basis sets . . . . . 873--883
            Lukasz Walewski and   
             Harald Forbert and   
                   Dominik Marx   Reactive path integral quantum
                                  simulations of molecules solvated in
                                  superfluid helium  . . . . . . . . . . . 884--899
           I. Cimrák and   
              M. Gusenbauer and   
            I. Jancigová   An ESPResSo implementation of elastic
                                  objects immersed in a fluid  . . . . . . 900--907
                  Wei Jiang and   
          James C. Phillips and   
                  Lei Huang and   
              Mikolai Fajer and   
                 Yilin Meng and   
           James C. Gumbart and   
                    Yun Luo and   
             Klaus Schulten and   
                 Beno\^\it Roux   Generalized scalable multiple copy
                                  algorithms for molecular dynamics
                                  simulations in NAMD  . . . . . . . . . . 908--916
                 Reza Mohammadi   An exponential spline solution of
                                  nonlinear Schrödinger equations with
                                  constant and variable coefficients . . . 917--932
                 V. B. Zlokazov   Confidence interval optimization for
                                  testing hypotheses under data with low
                                  statistics . . . . . . . . . . . . . . . 933--938
            Bohumir Jelinek and   
            Mohsen Eshraghi and   
           Sergio Felicelli and   
                 John F. Peters   Large-scale parallel lattice
                                  Boltzmann-cellular automaton model of
                                  two-dimensional dendritic growth . . . . 939--947
                  K. Jansen and   
                  H. Leovey and   
                   A. Ammon and   
                A. Griewank and   
       M. Müller-Preussker   Quasi-Monte Carlo methods for lattice
                                  systems: a first look  . . . . . . . . . 948--959
         G. Bélanger and   
                F. Boudjema and   
                  A. Pukhov and   
                     A. Semenov   micrOMEGAs\_3: a program for calculating
                                  dark matter observables  . . . . . . . . 960--985
           Nabil L. Youssef and   
                  S. G. Elgendi   New Finsler package  . . . . . . . . . . 986--997
             J. Smiljani\'c and   
                  M. Zezelj and   
             V. Milanovi\'c and   
           J. Radovanovi\'c and   
                 I. Stankovi\'c   MATLAB-based program for optimization of
                                  quantum cascade laser active region
                                  parameters and calculation of output
                                  characteristics in magnetic field  . . . 998--1006
        A. Otero-de-la-Roza and   
            Erin R. Johnson and   
     Víctor Luaña   Critic 2: a program for real-space
                                  analysis of quantum chemical
                                  interactions in solids . . . . . . . . . 1007--1018
           Michele Ceriotti and   
                Joshua More and   
          David E. Manolopoulos   i-PI: a Python interface for ab initio
                                  path integral molecular dynamics
                                  simulations  . . . . . . . . . . . . . . 1019--1026
            Stephen Oxburgh and   
           Tomás Tyc and   
              Johannes Courtial   Dr TIM: Ray-tracer TIM, with additional
                                  specialist scientific capabilities . . . 1027--1037
            Yukihiro Komura and   
                   Yutaka Okabe   CUDA programs for the GPU computing of
                                  the Swendsen--Wang multi-cluster spin
                                  flip algorithm: $2$D and $3$D Ising,
                                  Potts, and $ X Y $ models  . . . . . . . 1038--1043
              Bruno Golosio and   
             Tom Schoonjans and   
           Antonio Brunetti and   
           Piernicola Oliva and   
           Giovanni Luca Masala   Monte Carlo simulation of X-ray imaging
                                  and spectroscopy experiments using
                                  quadric geometry and variance reduction
                                  techniques . . . . . . . . . . . . . . . 1044--1052
             S. Vanaverbeke and   
                 R. Keppens and   
                      S. Poedts   GRADSPMHD: a parallel MHD code based on
                                  the SPH formalism  . . . . . . . . . . . 1053--1073
      Upakarasamy Lourderaj and   
                    Rui Sun and   
          Swapnil C. Kohale and   
           George L. Barnes and   
            Wibe A. de Jong and   
          Theresa L. Windus and   
                William L. Hase   The VENUS/NWChem software package. Tight
                                  coupling between chemical dynamics
                                  simulations and electronic structure
                                  theory . . . . . . . . . . . . . . . . . 1074--1080
                      J. Kaspar   Elegent --- An elastic event generator   1081--1084
          David Kauzlari\'c and   
             Marek Dynowski and   
              Lars Pastewka and   
            Andreas Greiner and   
                 Jan G. Korvink   SYMPLER: SYMbolic ParticLE simulatoR
                                  with grid-computing interface  . . . . . 1085--1099
             Thomas Müller   MPPhys --- a many-particle simulation
                                  package for computational physics
                                  education  . . . . . . . . . . . . . . . 1100--1108
                  Toni Giorgino   PLUMED-GUI: an environment for the
                                  interactive development of molecular
                                  dynamics analysis and biasing scripts    1109--1114
                   H. Carli and   
            L. G. S. Duarte and   
            L. A. C. P. da Mota   A Maple package for improved global
                                  mapping forecast . . . . . . . . . . . . 1115--1129
                 F. Lyonnet and   
              I. Schienbein and   
                   F. Staub and   
                   A. Wingerter   PyR@TE: Renormalization group equations
                                  for general gauge theories . . . . . . . 1130--1152
             Peter Marquard and   
                   Nikolai Zerf   SLAM, a Mathematica interface for SUSY
                                  spectrum generators  . . . . . . . . . . 1153--1171
         Nicholas V. Sarlis and   
Stavros-Richard G. Christopoulos   Visualization of the significance of
                                  Receiver Operating Characteristics based
                                  on confidence ellipses . . . . . . . . . 1172--1176
              Ulrich Hohenester   Simulating electron energy loss
                                  spectroscopy with the MNPBEM toolbox . . 1177--1187
        David A. Bonhommeau and   
            Marius Lewerenz and   
           Marie-Pierre Gaigeot   MCMC$^2$ (version 1.1): a Monte Carlo
                                  code for multiply-charged clusters . . . 1188--1191
            Santos B. Yuste and   
Joaquín Quintana-Murillo   Corrigendum to ``A finite difference
                                  method with non-uniform timesteps for
                                  fractional diffusion equations''
                                  [Comput. Phys. Comm. \bf 183 (12) (2012)
                                  2594--2600]  . . . . . . . . . . . . . . 1192--1192
             Zhaopeng Zhong and   
             Alberto Talamo and   
                   Yousry Gohar   Corrigendum to ``Monte Carlo and
                                  deterministic computational methods for
                                  the calculation of the effective delayed
                                  neutron fraction'' [Comput. Phys.
                                  Commun. \bf 184 (2013) 1660--1665] . . . 1193--1193

Computer Physics Communications
Volume 185, Number 4, April, 2014

                  A. Siegel and   
                   K. Smith and   
                  K. Felker and   
                  P. Romano and   
                  B. Forget and   
                     P. Beckman   Improved cache performance in Monte
                                  Carlo transport calculations using
                                  energy banding . . . . . . . . . . . . . 1195--1199
                  P. Amodio and   
                T. Levitina and   
                G. Settanni and   
          E. B. Weinmüller   Numerical simulation of the whispering
                                  gallery modes in prolate spheroids . . . 1200--1206
               S. V. Dolgov and   
           B. N. Khoromskij and   
            I. V. Oseledets and   
              D. V. Savostyanov   Computation of extreme eigenvalues in
                                  higher dimensions using block tensor
                                  train format . . . . . . . . . . . . . . 1207--1216
                    Guo-Kang Er   Probabilistic solutions of some
                                  multi-degree-of-freedom nonlinear
                                  stochastic dynamical systems excited by
                                  filtered Gaussian white noise  . . . . . 1217--1222
              C. Batistakis and   
                   A. V. Lyulin   Simulated glass transition in thin
                                  polymer films: Influence of truncating
                                  the non-bonded interaction potentials    1223--1229
              Higinio Ramos and   
                 J. Vigo-Aguiar   A trigonometrically-fitted method with
                                  two frequencies, one for the solution
                                  and another one for the derivative . . . 1230--1236
       Andrew J. Wickersham and   
                 Xuesong Li and   
                         Lin Ma   Comparison of Fourier, principal
                                  component and wavelet analyses for high
                                  speed flame measurements . . . . . . . . 1237--1245
     François Jollet and   
               Marc Torrent and   
              Natalie Holzwarth   Generation of Projector Augmented-Wave
                                  atomic data: a $ 71 $ element validated
                                  table in the XML format  . . . . . . . . 1246--1254
                    Xu Qian and   
                Songhe Song and   
                    Yaming Chen   A semi-explicit multi-symplectic
                                  splitting scheme for a $3$-coupled
                                  nonlinear Schrödinger equation  . . . . . 1255--1264
          Pedro Valero-Lara and   
            Alfredo Pinelli and   
           Manuel Prieto-Matias   Fast finite difference Poisson solvers
                                  on heterogeneous architectures . . . . . 1265--1272
                Ilya Valuev and   
             Alexei Deinega and   
                Sergey Belousov   Implementation of the iterative
                                  finite-difference time-domain technique
                                  for simulation of periodic structures at
                                  oblique incidence  . . . . . . . . . . . 1273--1281
              Randhir Singh and   
                 Jitendra Kumar   An efficient numerical technique for the
                                  solution of nonlinear singular boundary
                                  value problems . . . . . . . . . . . . . 1282--1289
                 A. Bouazra and   
                  S. Mnasri and   
      S. Abdi-Ben Nasrallah and   
                        M. Said   Numerical modeling of the InAs quantum
                                  dot with application of coordinate
                                  transformation and the finite difference
                                  method . . . . . . . . . . . . . . . . . 1290--1298
José Wilson M. Pinto and   
               Luiz N. Oliveira   Recursive computation of matrix elements
                                  in the numerical renormalization group   1299--1309
               E. Hirvijoki and   
                  O. Asunta and   
                 T. Koskela and   
            T. Kurki-Suonio and   
               J. Miettunen and   
             S. Sipilä and   
                 A. Snicker and   
       S. Äkäslompolo   ASCOT: Solving the kinetic equation of
                                  minority particle species in tokamak
                                  plasmas  . . . . . . . . . . . . . . . . 1310--1321
         Mihailo Backovi\'c and   
          José Juknevich   TemplateTagger v1.0.0: a template
                                  matching tool for jet substructure . . . 1322--1338
               I. V. Grossu and   
                  C. Besliu and   
                   D. Felea and   
                       Al. Jipa   High precision framework for chaos
                                  many-body engine . . . . . . . . . . . . 1339--1342
              L. Yu. Barash and   
                   L. N. Shchur   PRAND: GPU accelerated parallel random
                                  number generation library: Using most
                                  reliable algorithms and applying
                                  parallelism of modern GPUs and CPUs  . . 1343--1353

Computer Physics Communications
Volume 185, Number 5, May, 2014

         Americo Cunha, Jr. and   
              Rafael Nasser and   
             Rubens Sampaio and   
         Hélio Lopes and   
                 Karin Breitman   Uncertainty quantification through the
                                  Monte Carlo method in a cloud computing
                                  setting  . . . . . . . . . . . . . . . . 1355--1363
 Tarcísio M. Rocha Filho   Molecular dynamics for long-range
                                  interacting systems on graphic
                                  processing units . . . . . . . . . . . . 1364--1369
              C. Alexandrou and   
            M. Constantinou and   
                   V. Drach and   
          K. Hadjiyiannakou and   
                  K. Jansen and   
                 G. Koutsou and   
             A. Strelchenko and   
                     A. Vaquero   Evaluation of disconnected quark loops
                                  for hadron structure using GPUs  . . . . 1370--1382
                   I-Lin Ho and   
           Chung-Hsien Chou and   
                Yia-Chung Chang   Theoretical study of electronic
                                  transport through quasicrystalline
                                  nanotubes using mesh inflation approach  1383--1388
            Kyle Jay Michel and   
                   C. Wolverton   Symmetry building Monte Carlo-based
                                  crystal structure prediction . . . . . . 1389--1393
                   M. Bilal and   
               Banaras Khan and   
    H. A. Rahnamaye Aliabad and   
                 M. Maqbool and   
         S. Jalai Asadabadi and   
                       I. Ahmad   Thermoelectric properties of SbNCa$_3$
                                  and BiNCa$_3$ for thermoelectric devices
                                  and alternative energy applications  . . 1394--1398
               Wenting Shao and   
                    Xionghua Wu   The numerical solution of the nonlinear
                                  Klein--Gordon and Sine-Gordon equations
                                  using the Chebyshev tau meshless method  1399--1409
                 D. A. Pigg and   
                 A. S. Umar and   
                V. E. Oberacker   Eulerian rotations of deformed nuclei
                                  for TDDFT calculations . . . . . . . . . 1410--1414
               E. C. Howell and   
                  C. R. Sovinec   Solving the Grad--Shafranov equation
                                  with spectral elements . . . . . . . . . 1415--1421
               Ken-Ming Lin and   
               Yu-Hui Huang and   
                   W. S. Su and   
                    T. C. Leung   Strain effects on the band gap and work
                                  function of zigzag single-walled carbon
                                  nanotubes and graphene: a comparative
                                  study  . . . . . . . . . . . . . . . . . 1422--1428
                D. Tapiador and   
               W. O'Mullane and   
             A. G. A. Brown and   
                    X. Luri and   
                   E. Huedo and   
                       P. Osuna   A framework for building hypercubes
                                  using MapReduce  . . . . . . . . . . . . 1429--1438
                  Rui Jiang and   
                 Mao-Bin Hu and   
                    Bin Jia and   
                     Zi-You Gao   A new mechanism for metastability of
                                  under-saturated traffic responsible for
                                  time-delayed traffic breakdown at the
                                  signal . . . . . . . . . . . . . . . . . 1439--1442
                    Z. Bern and   
                L. J. Dixon and   
          F. Febres Cordero and   
              S. Höche and   
                     H. Ita and   
              D. A. Kosower and   
                   D. Ma\^\itre   Ntuples for NLO events at hadron
                                  colliders  . . . . . . . . . . . . . . . 1443--1460
               Asif Mushtaq and   
            Kåre Olaussen   Automatic code generator for higher
                                  order integrators  . . . . . . . . . . . 1461--1472
                   Philipp Kant   Finding linear dependencies in
                                  integration-by-parts equations: a Monte
                                  Carlo approach . . . . . . . . . . . . . 1473--1476
           Andrew J. Morris and   
        Rebecca J. Nicholls and   
           Chris J. Pickard and   
              Jonathan R. Yates   OptaDOS: a tool for obtaining density of
                                  states, core-level and optical spectra
                                  from electronic structure codes  . . . . 1477--1485
           Daisuke Nishiura and   
             Miki Y. Matsuo and   
                 Hide Sakaguchi   ppohDEM: Computational performance for
                                  open source code of the discrete element
                                  method . . . . . . . . . . . . . . . . . 1486--1495
                 J. Avellar and   
              M. S. Cardoso and   
            L. G. S. Duarte and   
            L. A. C. P. da Mota   Determining Liouvillian first integrals
                                  for dynamical systems in the plane and
                                  an integrability analysis  . . . . . . . 1496--1497
              C. Schimeczek and   
                   D. Engel and   
                      G. Wunner   A highly optimized code for calculating
                                  atomic data at neutron star magnetic
                                  field strengths using a doubly
                                  self-consistent Hartree--Fock--Roothaan
                                  method . . . . . . . . . . . . . . . . . 1498--1499

Computer Physics Communications
Volume 185, Number 6, June, 2014

          Sebastian Wouters and   
              Ward Poelmans and   
              Paul W. Ayers and   
               Dimitri Van Neck   CheMPS2: a free open-source spin-adapted
                                  implementation of the density matrix
                                  renormalization group for ab initio
                                  quantum chemistry  . . . . . . . . . . . 1501--1514
              Ameneh Taleei and   
                  Mehdi Dehghan   Time-splitting pseudo-spectral domain
                                  decomposition method for the soliton
                                  solutions of the one- and
                                  multi-dimensional nonlinear Schrödinger
                                  equations  . . . . . . . . . . . . . . . 1515--1528
               T. Fritzsche and   
                    T. Hahn and   
              S. Heinemeyer and   
          F. von der Pahlen and   
                  H. Rzehak and   
                 C. Schappacher   The implementation of the renormalized
                                  complex MSSM in FeynArts and FormCalc    1529--1545
             Pierre de Buyl and   
           Peter H. Colberg and   
             Felix Höfling   H5MD: a structured, efficient, and
                                  portable file format for molecular data  1546--1553
          Nathan J. Quinlan and   
      Libor Lobovský and   
               Ruairi M. Nestor   Development of the meshless finite
                                  volume particle method with exact and
                                  efficient calculation of interparticle
                                  area . . . . . . . . . . . . . . . . . . 1554--1563
             Tzu-Liang Chan and   
                Alex J. Lee and   
           James R. Chelikowsky   An effective capacitance model for
                                  computing the electronic properties of
                                  charged defects in crystals  . . . . . . 1564--1569
                Csaba Nemes and   
             Gergely Barcza and   
         Zoltán Nagy and   
            Örs Legeza and   
           Péter Szolgay   The density matrix renormalization group
                                  algorithm on kilo-processor
                                  architectures: Implementation and
                                  trade-offs . . . . . . . . . . . . . . . 1570--1581
        Naofumi Kitsunezaki and   
                  Atsushi Okabe   Higher-order correction to the FDTD
                                  method based on the integral form of
                                  Maxwell's equations  . . . . . . . . . . 1582--1588
                  V. Ledoux and   
                   M. Van Daele   The accurate numerical solution of the
                                  Schrödinger equation with an explicitly
                                  time-dependent Hamiltonian . . . . . . . 1589--1594
          Ales Vítek and   
              René Kalus   Two-dimensional multiple-histogram
                                  method applied to isothermal-isobaric
                                  Monte Carlo simulations of molecular
                                  clusters . . . . . . . . . . . . . . . . 1595--1605
                 Hongwei Li and   
                 Xiaonan Wu and   
                    Jiwei Zhang   Local artificial boundary conditions for
                                  Schrödinger and heat equations by using
                                  high-order azimuth derivatives on
                                  circular artificial boundary . . . . . . 1606--1615
                Ozlem Ozgun and   
               Mustafa Kuzuoglu   A coordinate transformation approach for
                                  efficient repeated solution of Helmholtz
                                  equation pertaining to obstacle
                                  scattering by shape deformations . . . . 1616--1627
                  James Tickner   Arbitrary perturbations in Monte Carlo
                                  neutral-particle transport . . . . . . . 1628--1638
     Guido Falk von Rudorff and   
         Christoph Wehmeyer and   
              Daniel Sebastiani   Efficient implementation and application
                                  of the artificial bee colony algorithm
                                  to low-dimensional optimization problems 1639--1646
            Valerio Bertone and   
           Stefano Carrazza and   
                      Juan Rojo   APFEL: a PDF evolution library with QED
                                  corrections  . . . . . . . . . . . . . . 1647--1668
               S. R. Haskey and   
            B. D. Blackwell and   
                   D. G. Pretty   Clustering of periodic multichannel
                                  timeseries data with application to
                                  plasma fluctuations  . . . . . . . . . . 1669--1680
     Alejandro M. Aragón   A C++11 implementation of arbitrary-rank
                                  tensors for high-performance computing   1681--1696
                   S. Fritzsche   The Feynman tools for quantum
                                  information processing: Design and
                                  implementation . . . . . . . . . . . . . 1697--1718
                    Teake Nutma   xTras: a field-theory inspired xAct
                                  package for Mathematica  . . . . . . . . 1719--1738
              Qingang Xiong and   
           Soroush Aramideh and   
        Alberto Passalacqua and   
               Song-Charng Kong   BIOTC: an open-source CFD code for
                                  simulating biomass fast pyrolysis  . . . 1739--1746
                      Wu Li and   
       Jesús Carrete and   
            Nebil A. Katcho and   
                  Natalio Mingo   ShengBTE: a solver of the Boltzmann
                                  transport equation for phonons . . . . . 1747--1758
        Maciej Rybczy\'nski and   
          Grzegorz Stefanek and   
        Wojciech Broniowski and   
                    Piotr Bozek   GLISSANDO 2: GLauber Initial-State
                                  Simulation AND mOre\ldots, ver. 2  . . . 1759--1772
                  Florian Staub   SARAH 4: a tool for (not only SUSY)
                                  model builders . . . . . . . . . . . . . 1773--1790
      Cathal Ó Broin and   
          L. A. A. Nikolopoulos   A GPGPU based program to solve the TDSE
                                  in intense laser fields through the
                                  finite difference approach . . . . . . . 1791--1807
                T. Niksi\'c and   
                    N. Paar and   
                D. Vretenar and   
                        P. Ring   DIRHB --- a relativistic self-consistent
                                  mean-field framework for atomic nuclei   1808--1821
                 Pierre de Buyl   The vmf90 program for the numerical
                                  resolution of the Vlasov equation for
                                  mean-field systems . . . . . . . . . . . 1822--1827
             J. Ph. Guillet and   
                G. Heinrich and   
     J. F. von Soden-Fraunhofen   Tools for NLO automation: Extension of
                                  the \tt golem95C integral library  . . . 1828--1834
                Tobias Toll and   
                 Thomas Ullrich   The dipole model Monte Carlo generator
                                  Sar $t$ re 1 . . . . . . . . . . . . . . 1835--1853
                 G. Opletal and   
             T. C. Petersen and   
                    S. P. Russo   HRMC\_2.1: Hybrid Reverse Monte Carlo
                                  method with silicon, carbon, germanium
                                  and silicon carbide potentials . . . . . 1854--1855

Computer Physics Communications
Volume 185, Number 7, July, 2014

       Bertrand Rouet-Leduc and   
              Kipton Barros and   
            Emmanuel Cieren and   
            Venmugil Elango and   
         Christoph Junghans and   
              Turab Lookman and   
       Jamaludin Mohd-Yusof and   
            Robert S. Pavel and   
             Axel Y. Rivera and   
              Dominic Roehm and   
         Allen L. McPherson and   
             Timothy C. Germann   Spatial adaptive sampling in multiscale
                                  simulation . . . . . . . . . . . . . . . 1857--1864
              J. E. McClure and   
                J. F. Prins and   
                   C. T. Miller   A novel heterogeneous algorithm to
                                  simulate multiphase flow in porous media
                                  on multicore CPU--GPU systems  . . . . . 1865--1874
                Kai Kratzer and   
         Joshua T. Berryman and   
                Aaron Taudt and   
             Johannes Zeman and   
                    Axel Arnold   The Flexible Rare Event Sampling Harness
                                  System (FRESHS)  . . . . . . . . . . . . 1875--1885
              Wei Choon Tay and   
                  Eng Leong Tan   Pentadiagonal
                                  alternating-direction-implicit
                                  finite-difference time-domain method for
                                  two-dimensional Schrödinger equation  . . 1886--1892
                   Zhong-Li Liu   Muse: Multi-algorithm collaborative
                                  crystal structure prediction . . . . . . 1893--1900
               Un-Hong Wong and   
              Takayuki Aoki and   
                 Hon-Cheng Wong   Efficient magnetohydrodynamic
                                  simulations on distributed multi-GPU
                                  systems using a novel GPU Direct-MPI
                                  hybrid approach  . . . . . . . . . . . . 1901--1913
                 D. Melazzi and   
                 V. Lancellotti   ADAMANT: a surface and volume
                                  integral-equation solver for the
                                  analysis and design of helicon plasma
                                  sources  . . . . . . . . . . . . . . . . 1914--1925
             Pjotrs Grisins and   
                 Igor E. Mazets   Metropolis--Hastings thermal state
                                  sampling for numerical simulations of
                                  Bose--Einstein condensates . . . . . . . 1926--1931
                    Attila Boer   GPU-based simulation of the long-range
                                  Potts model via parallel tempering . . . 1932--1937
                   H. Doerk and   
                       F. Jenko   Towards optimal explicit time-stepping
                                  schemes for the gyrokinetic equations    1938--1946
                Sunil Kumar and   
         Mohammad Mehdi Rashidi   New analytical method for gas dynamics
                                  equation arising in shock fronts . . . . 1947--1954
              F. D. Colavecchia   Accelerating spectral atomic and
                                  molecular collisions methods with
                                  graphics processing units  . . . . . . . 1955--1964
              Xueshang Feng and   
            Changqing Xiang and   
              Dingkun Zhong and   
                 Yufen Zhou and   
                Liping Yang and   
                    Xiaopeng Ma   SIP--CESE MHD model of solar wind with
                                  adaptive mesh refinement of hexahedral
                                  meshes . . . . . . . . . . . . . . . . . 1965--1980
           Cedric Schreiner and   
                  Felix Spanier   Wave-particle-interaction in kinetic
                                  plasmas  . . . . . . . . . . . . . . . . 1981--1986
         James P. Larentzos and   
            John K. Brennan and   
            Joshua D. Moore and   
        Martin Lísal and   
             William D. Mattson   Parallel implementation of isothermal
                                  and isoenergetic Dissipative Particle
                                  Dynamics using Shardlow-like splitting
                                  algorithms . . . . . . . . . . . . . . . 1987--1998
                    Kai Liu and   
                     Xinyuan Wu   Multidimensional ARKN methods for
                                  general oscillatory second-order initial
                                  value problems . . . . . . . . . . . . . 1999--2007
             S. Gowrisankar and   
             Srinivasan Natesan   Robust numerical scheme for singularly
                                  perturbed convection-diffusion parabolic
                                  initial-boundary-value problems on
                                  equidistributed grids  . . . . . . . . . 2008--2019
                 Weipeng Hu and   
                Zichen Deng and   
                       Yu Zhang   Multi-symplectic method for
                                  peakon--antipeakon collision of
                                  quasi-Degasperis--Procesi equation . . . 2020--2028
         H. Wan Chan Tseung and   
                     C. Beltran   A graphics processor-based intranuclear
                                  cascade and evaporation simulation . . . 2029--2033
                 A. Idesman and   
                        D. Pham   Accurate finite element modeling of
                                  acoustic waves . . . . . . . . . . . . . 2034--2045
                A. Valentim and   
            M. G. E. da Luz and   
                Carlos E. Fiore   Determining efficient temperature sets
                                  for the simulated tempering method . . . 2046--2055
                  M. Petran and   
               J. Letessier and   
                J. Rafelski and   
                    G. Torrieri   SHARE with CHARM . . . . . . . . . . . . 2056--2079
               Xiaochuan Ge and   
            Simon J. Binnie and   
                Dario Rocca and   
              Ralph Gebauer and   
                 Stefano Baroni   turboTDDFT 2.0-Hybrid functionals and
                                  new algorithms within time-dependent
                                  density-functional perturbation theory   2080--2089
                  A. V. Smirnov   FIESTA 3: Cluster-parallelizable
                                  multiloop numerical calculations in
                                  physical regions . . . . . . . . . . . . 2090--2100
            Danilo T. Alves and   
               Edney R. Granhen   A computer algebra package for
                                  calculation of the energy density
                                  produced via the dynamical Casimir
                                  effect in one-dimensional cavities . . . 2101--2114
           Luigi Del Debbio and   
            Nathan Hartland and   
               Steffen Schumann   MCgrid: Projecting cross section
                                  calculations on grids  . . . . . . . . . 2115--2126
             E. Akhmatskaya and   
              D. Sokolovski and   
   C. Echeverría-Arrondo   Numerical Regge pole analysis of
                                  resonance structures in elastic,
                                  inelastic and reactive state-to-state
                                  integral cross sections  . . . . . . . . 2127--2137
            Max J. Hoffmann and   
           Sebastian Matera and   
                 Karsten Reuter   kmos: a lattice kinetic Monte Carlo
                                  framework  . . . . . . . . . . . . . . . 2138--2150
                       S. Zaghi   OFF, Open source Finite volume Fluid
                                  dynamics code: a free, high-order solver
                                  based on parallel, modular,
                                  object-oriented Fortran API  . . . . . . 2151--2194
               J. A. Maruhn and   
             P.-G. Reinhard and   
            P. D. Stevenson and   
                     A. S. Umar   The TDHF code Sky3D  . . . . . . . . . . 2195--2216
          P. E. Hadjidoukas and   
          P. Angelikopoulos and   
                  C. Voglis and   
         D. G. Papageorgiou and   
                  I. E. Lagaris   NDL-v2.0: a new version of the numerical
                                  differentiation library for parallel
                                  architectures  . . . . . . . . . . . . . 2217--2219

Computer Physics Communications
Volume 185, Number 8, August, 2014

                 Jeremy Witzens   Ab initio calculation of the deformation
                                  potential and photoelastic coefficients
                                  of silicon with a non-uniform
                                  finite-difference solver based on the
                                  local density approximation  . . . . . . 2221--2231
              Rafael B. Frigori   Nonextensive lattice gauge theories:
                                  Algorithms and methods . . . . . . . . . 2232--2239
              Hong-lin Liao and   
              Han-sheng Shi and   
                      Ying Zhao   Numerical study of fourth-order
                                  linearized compact schemes for
                                  generalized NLS equations  . . . . . . . 2240--2249
                Adam Alloul and   
        Neil D. Christensen and   
     Céline Degrande and   
                Claude Duhr and   
                  Benjamin Fuks   FeynRules 2.0: A complete toolbox for
                                  tree-level phenomenology . . . . . . . . 2250--2300
             Thomas Müller   GeoViS --- Relativistic ray tracing in
                                  four-dimensional spacetimes  . . . . . . 2301--2308
           Arash A. Mostofi and   
          Jonathan R. Yates and   
             Giovanni Pizzi and   
               Young-Su Lee and   
                  Ivo Souza and   
           David Vanderbilt and   
                 Nicola Marzari   An updated version of wannier90: a tool
                                  for obtaining maximally-localised
                                  Wannier functions  . . . . . . . . . . . 2309--2310
             Giovanni Pizzi and   
               Dmitri Volja and   
             Boris Kozinsky and   
              Marco Fornari and   
                 Nicola Marzari   An updated version of BoltzWann: a code
                                  for the evaluation of thermoelectric and
                                  electronic transport properties with a
                                  maximally-localized Wannier functions
                                  basis  . . . . . . . . . . . . . . . . . 2311--2312

Computer Physics Communications
Volume 185, Number 9, September, 2014

                      Anonymous   Editorial Board  . . . . . . . . . . . . ifc--ifc
          Seikichi Matsuoka and   
                Shinsuke Satake   Application of an improved
                                  control-variate scheme to local
                                  neoclassical transport simulations . . . 2313--2321
             B. C. Allanach and   
                  P. Athron and   
          Lewis C. Tunstall and   
                   A. Voigt and   
                 A. G. Williams   Next-to-minimal SOFTSUSY . . . . . . . . 2322--2339
             Mikael Leetmaa and   
         Natalia V. Skorodumova   KMCLib: a general framework for lattice
                                  kinetic Monte Carlo (KMC) simulations    2340--2349
             M. Januszewski and   
                      M. Kostur   Sailfish: a flexible multi-GPU
                                  implementation of the lattice Boltzmann
                                  method . . . . . . . . . . . . . . . . . 2350--2368
                  P. Halder and   
             A. Chakraborty and   
                 P. Deb Roy and   
                      H. S. Das   Java application for the superposition
                                  $T$-matrix code to study the optical
                                  properties of cosmic dust aggregates . . 2369--2379
             Raimar Sandner and   
           András Vukics   C++QEDv2 Milestone 10: a C++/Python
                                  application-programming framework for
                                  simulating open quantum dynamics . . . . 2380--2382

Computer Physics Communications
Volume 185, Number 10, October, 2014

                      Anonymous   Editorial Board  . . . . . . . . . . . . ifc--ifc
                R. F. Abdul and   
                     R. L. Mace   A method to generate kappa distributed
                                  random deviates for particle-in-cell
                                  simulations  . . . . . . . . . . . . . . 2383--2386
                 Zhong Peng and   
              Hong Wei Yang and   
                   Rui Weng and   
                Yingjie Gao and   
                    Ze Kun Yang   A research on the CN-ICCG-FDTD algorithm
                                  of plasma photonic crystals and the
                                  transmission coefficient of
                                  electromagnetic wave . . . . . . . . . . 2387--2390
                    G. Chen and   
               L. Chacón   An energy- and charge-conserving,
                                  nonlinearly implicit, electromagnetic
                                  $1$D-3V Vlasov--Darwin particle-in-cell
                                  algorithm  . . . . . . . . . . . . . . . 2391--2402
                 Wenjun Cai and   
                Yushun Wang and   
                 Yongzhong Song   Derivation of the multisymplectic
                                  Crank--Nicolson scheme for the nonlinear
                                  Schrödinger equation  . . . . . . . . . . 2403--2411
                   K. C. Ng and   
                Y. H. Hwang and   
                  T. W. H. Sheu   On the accuracy assessment of Laplacian
                                  models in MPS  . . . . . . . . . . . . . 2412--2426
              J. M. Sellier and   
                       I. Dimov   The Wigner--Boltzmann Monte Carlo method
                                  applied to electron transport in the
                                  presence of a single dopant  . . . . . . 2427--2435
          Andreas Eitzlmayr and   
             Gerold Koscher and   
               Johannes Khinast   A novel method for modeling of complex
                                  wall geometries in smoothed particle
                                  hydrodynamics  . . . . . . . . . . . . . 2436--2448
               Shuying Zhai and   
               Xinlong Feng and   
                     Yinnian He   Numerical simulation of the three
                                  dimensional Allen--Cahn equation by the
                                  high-order compact ADI method  . . . . . 2449--2455
                 S. J. Eder and   
                 D. Bianchi and   
              U. Cihak-Bayr and   
                  A. Vernes and   
                        G. Betz   An analysis method for atomistic
                                  abrasion simulations featuring rough
                                  surfaces and multiple abrasive particles 2456--2466
                    Ye Fang and   
                 Sheng Feng and   
                Ka-Ming Tam and   
                Zhifeng Yun and   
               Juana Moreno and   
               J. Ramanujam and   
                   Mark Jarrell   Parallel tempering simulation of the
                                  three-dimensional Edwards--Anderson
                                  model with compact asynchronous
                                  multispin coding on GPU  . . . . . . . . 2467--2478
         Jerome P. Nilmeier and   
                   Jaime Marian   A rigorous sequential update strategy
                                  for parallel kinetic Monte Carlo
                                  simulation . . . . . . . . . . . . . . . 2479--2486
      Benjamin Ragan-Kelley and   
        John P. Verboncoeur and   
                 Ming-Chieh Lin   Optimizing physical parameters in $1$-D
                                  particle-in-cell simulations with Python 2487--2494
               M. Bernaschi and   
                  M. Bisson and   
                   F. Salvadore   Multi-Kepler GPU vs. multi-Intel MIC for
                                  spin systems simulations . . . . . . . . 2495--2503
                Yi-An Huang and   
               Yu-Ting Hung and   
                  Snow H. Tseng   An optical target to eliminate impinging
                                  light in a light scattering simulation   2504--2509
           Walter Rodrigues and   
                 A. Pecchia and   
                   M. Lopez and   
            M. Auf der Maur and   
                    A. Di Carlo   Accelerating atomistic calculations of
                                  quantum energy eigenstates on graphic
                                  cards  . . . . . . . . . . . . . . . . . 2510--2518
                M. Robinson and   
                    N. A. Marks   NanoCap: a framework for generating
                                  capped carbon nanotubes and fullerenes   2519--2526
               J. M. Franco and   
            I. Gómez and   
               L. Rández   Optimization of explicit two-step hybrid
                                  methods for solving orbital and
                                  oscillatory problems . . . . . . . . . . 2527--2537
                Andrea Lani and   
          Mehmet Sarp Yalim and   
                 Stefaan Poedts   A GPU-enabled Finite Volume solver for
                                  global magnetospheric simulations on
                                  unstructured grids . . . . . . . . . . . 2538--2557
Miguel Cárdenas-Montes and   
Juan José Rodríguez-Vázquez and   
Miguel A. Vega-Rodríguez and   
     Ignacio Sevilla-Noarbe and   
  Eusebio Sánchez Alvaro   Performance and precision of histogram
                                  calculation on GPUs: Cosmological
                                  analysis as a case study . . . . . . . . 2558--2565
             Mark J. Mawson and   
             Alistair J. Revell   Memory transfer optimization for a
                                  lattice Boltzmann solver on Kepler
                                  architecture nVidia GPUs . . . . . . . . 2566--2574
               Yousuke Ohno and   
                 Rio Yokota and   
             Hiroshi Koyama and   
           Gentaro Morimoto and   
               Aki Hasegawa and   
               Gen Masumoto and   
            Noriaki Okimoto and   
           Yoshinori Hirano and   
                 Huda Ibeid and   
               Tetsu Narumi and   
                   Makoto Taiji   Petascale molecular dynamics simulation
                                  using the fast multipole method on K
                                  computer . . . . . . . . . . . . . . . . 2575--2585
                Ulf D. Schiller   A unified operator splitting approach
                                  for multi-scale fluid-particle coupling
                                  in the lattice Boltzmann method  . . . . 2586--2597
                Jungpyo Lee and   
                 John C. Wright   A block-tridiagonal solver with
                                  two-level parallelization for finite
                                  element-spectral codes . . . . . . . . . 2598--2608
                 M. Antuono and   
               B. Bouscasse and   
              A. Colagrossi and   
                     S. Marrone   A measure of spatial disorder in
                                  particle methods . . . . . . . . . . . . 2609--2621
            S. Safaei Arshi and   
              A. Zolfaghari and   
                S. M. Mirvakili   A multi-objective shuffled frog leaping
                                  algorithm for in-core fuel management
                                  optimization . . . . . . . . . . . . . . 2622--2628
             S. V. Chekanov and   
                     E. May and   
                  K. Strand and   
                P. Van Gemmeren   ProMC: Input-output data format for HEP
                                  applications using varint encoding . . . 2629--2635
                A. A. Gusev and   
           O. Chuluunbaatar and   
             S. I. Vinitsky and   
             A. G. Abrashkevich   POTHEA: a program for computing
                                  eigenvalues and eigenfunctions and their
                                  first derivatives with respect to the
                                  parameter of the parametric
                                  self-adjoined $2$D elliptic partial
                                  differential equation  . . . . . . . . . 2636--2654
              C. Schimeczek and   
                      G. Wunner   Multi-electron systems in strong
                                  magnetic fields I: the $2$D
                                  Landau--Hartree--Fock--Roothaan method   2655--2662
               E. Francisco and   
 A. Martín Pendás   Electron number distribution functions
                                  from molecular wavefunctions. Version 2  2663--2682
          M. Molero-Armenta and   
Ursula Iturrarán-Viveros and   
                S. Aparicio and   
         M. G. Hernández   Optimized OpenCL implementation of the
                                  Elastodynamic Finite Integration
                                  Technique for viscoelastic media . . . . 2683--2696
            A. H. Markosyan and   
                   A. Luque and   
F. J. Gordillo-Vázquez and   
                       U. Ebert   PumpKin: a tool to find principal
                                  pathways in plasma chemical models . . . 2697--2702
            Stephan Buehler and   
                    Claude Duhr   CHAPLIN-Complex Harmonic Polylogarithms
                                  in Fortran . . . . . . . . . . . . . . . 2703--2713
                   Xin Guan and   
         Kristina D. Launey and   
                Mingxia Xie and   
                   Lina Bao and   
                   Feng Pan and   
               Jerry P. Draayer   Numerical algorithm for the standard
                                  pairing problem based on the
                                  Heine--Stieltjes correspondence and the
                                  polynomial approach  . . . . . . . . . . 2714--2723
         Israel Joel Koenka and   
          Jorge Sáiz and   
                Peter C. Hauser   Instrumentino: an open-source modular
                                  Python framework for controlling Arduino
                                  based experimental instruments . . . . . 2724--2729
                  Chun Shen and   
               Fengxian Sun and   
                     Xinlin Xia   Implementation of density-based solver
                                  for all speeds in the framework of
                                  OpenFOAM . . . . . . . . . . . . . . . . 2730--2741
                Koki Murano and   
        Tomoyoshi Shimobaba and   
           Atsushi Sugiyama and   
               Naoki Takada and   
              Takashi Kakue and   
              Minoru Oikawa and   
                  Tomoyoshi Ito   Fast computation of computer-generated
                                  hologram using Xeon Phi coprocessor  . . 2742--2757
       J. J. Galiana-Merino and   
                     C. Pla and   
        A. Fernandez-Cortes and   
                  S. Cuezva and   
                   J. Ortiz and   
                   D. Benavente   EnvironmentalWaveletTool: Continuous and
                                  discrete wavelet analysis and filtering
                                  for environmental time series  . . . . . 2758--2770
                 Tiziano Peraro   Ninja: Automated integrand reduction via
                                  Laurent expansion for one-loop
                                  amplitudes . . . . . . . . . . . . . . . 2771--2797
             Thomas Müller   Motion4D-library extended  . . . . . . . 2798--2799
                   I. M. Sitnik   Development of the FUMILI minimization
                                  package  . . . . . . . . . . . . . . . . 2800--2800
        Mikhail S. Litsarev and   
              Ivan V. Oseledets   The DEPOSIT computer code based on the
                                  low rank approximations  . . . . . . . . 2801--2802

Computer Physics Communications
Volume 185, Number 11, November, 2014

                      Anonymous   Editorial Board  . . . . . . . . . . . . ifc--ifc
               Hanquan Wang and   
                      Zhiguo Xu   Projection gradient method for energy
                                  functional minimization with a
                                  constraint and its application to
                                  computing the ground state of
                                  spin-orbit-coupled Bose--Einstein
                                  condensates  . . . . . . . . . . . . . . 2803--2808
               Yu-Hang Tang and   
          George Em Karniadakis   Accelerating dissipative particle
                                  dynamics simulations on GPUs:
                                  Algorithms, numerics and applications    2809--2822
               Yu-Qing Wang and   
                  Rui Jiang and   
                 Mao-Bin Hu and   
                   Qing-Song Wu   Phase transition in a mesoscopic ring
                                  with multiple diffusive channels . . . . 2823--2828
             Iftikhar Ahmad and   
               Muhammad Maqbool   Investigation of the optical properties
                                  of P, As and Sb incorporated AlGaX
                                  alloys using full potential linearized
                                  augmented plane wave method  . . . . . . 2829--2833
              Ch. Tsitouras and   
                 V. N. Katsikis   Bounds for variable degree rational $
                                  L_\infty $ approximations to the matrix
                                  cosine . . . . . . . . . . . . . . . . . 2834--2840
                Hongli Yang and   
              Xianyang Zeng and   
                 Xinyuan Wu and   
                  Zhengliang Ru   A simplified Nyström-tree theory for
                                  extended Runge--Kutta--Nyström
                                  integrators solving multi-frequency
                                  oscillatory systems  . . . . . . . . . . 2841--2850
                E. G. Evstatiev   Application of the phase space action
                                  principle to finite-size particle plasma
                                  simulations in the drift-kinetic
                                  approximation  . . . . . . . . . . . . . 2851--2858
           Nabil L. Youssef and   
                  S. G. Elgendi   Computing nullity and kernel vectors
                                  using NF-package: Counterexamples  . . . 2859--2864
               L. Einkemmer and   
                M. Wiesenberger   A conservative discontinuous Galerkin
                                  scheme for the $2$D incompressible
                                  Navier--Stokes equations . . . . . . . . 2865--2873
             Iulian Petrila and   
                   Vasile Manta   Metropolis Monte Carlo analysis of
                                  all-optical switching  . . . . . . . . . 2874--2878
              S. V. Utyuzhnikov   Towards development of unsteady
                                  near-wall interface boundary conditions
                                  for turbulence modeling  . . . . . . . . 2879--2884
          Jesper Kristensen and   
            Nicholas J. Zabaras   Bayesian uncertainty quantification in
                                  the evaluation of alloy properties with
                                  the cluster expansion method . . . . . . 2885--2892
                Jakub Benda and   
                   Karel Houfek   Collisions of electrons with hydrogen
                                  atoms I. Package outline and high energy
                                  code . . . . . . . . . . . . . . . . . . 2893--2902
                Jakub Benda and   
                   Karel Houfek   Collisions of electrons with hydrogen
                                  atoms II. Low-energy program using the
                                  method of the exterior complex scaling   2903--2912
                K. Pachucki and   
               M. Puchalski and   
                 V. A. Yerokhin   Extended Gaussian quadratures for
                                  functions with an end-point singularity
                                  of logarithmic type  . . . . . . . . . . 2913--2919
                C. Paissoni and   
          D. Spiliotopoulos and   
                   G. Musco and   
                   A. Spitaleri   GMXPBSA 2.0: a GROMACS tool to perform
                                  MM/PBSA and computational alanine
                                  scanning . . . . . . . . . . . . . . . . 2920--2929
              Michal Czakon and   
                Alexander Mitov   Top++: a program for the calculation of
                                  the top-pair cross-section at hadron
                                  colliders  . . . . . . . . . . . . . . . 2930--2938
                Lu-Ping Wan and   
                Jian-Xiong Wang   FDCHQHP: a Fortran package for heavy
                                  quarkonium hadroproduction . . . . . . . 2939--2949
                    Yi Wang and   
             Long-Qing Chen and   
                     Zi-Kui Liu   YPHON: a package for calculating phonons
                                  of polar materials . . . . . . . . . . . 2950--2968
             Xavier Antoine and   
                 Romain Duboscq   GPELab, a Matlab toolbox to solve
                                  Gross--Pitaevskii equations I:
                                  Computation of stationary solutions  . . 2969--2991
                 S. Boblest and   
                   D. Meyer and   
                      G. Wunner   Multi-electron systems in strong
                                  magnetic fields II: a fixed-phase
                                  diffusion quantum Monte Carlo
                                  application based on trial functions
                                  from a Hartree--Fock--Roothaan method    2992--3000
                Andrzej Daniluk   RHEED intensities from two-dimensional
                                  heteroepitaxial nanoscale systems  . . . 3001--3009
           Joseph E. Curtis and   
             Hailiang Zhang and   
                    Hirsh Nanda   SLDMOL: a tool for the structural
                                  characterization of thermally disordered
                                  membrane proteins  . . . . . . . . . . . 3010--3015
               Iu. Karpenko and   
                P. Huovinen and   
                    M. Bleicher   A $ 3 + 1 $ dimensional viscous
                                  hydrodynamic code for relativistic heavy
                                  ion collisions . . . . . . . . . . . . . 3016--3027
            F. D. Witherden and   
           A. M. Farrington and   
                  P. E. Vincent   PyFR: an open source framework for
                                  solving advection-diffusion type
                                  problems on streaming architectures
                                  using the flux reconstruction approach   3028--3040
          Vladimir V. Bytev and   
       Mikhail Yu. Kalmykov and   
                 Sven-Olaf Moch   HYPERgeometric functions DIfferential
                                  REduction (HYPERDIRE): MATHEMATICA based
                                  packages for differential reduction of
                                  generalized hypergeometric functions: $
                                  F_D $ and $ F_S $ Horn-type
                                  hypergeometric functions of three
                                  variables  . . . . . . . . . . . . . . . 3041--3058
               I. V. Grossu and   
                   D. Felea and   
                   Al. Jipa and   
                  C. Besliu and   
                    E. Stan and   
                  O. Ristea and   
                  C. Ristea and   
                   M. Calin and   
                   T. Esanu and   
               C. Bordeianu and   
                     N. Tuturas   CMBE v05-Implementation of a toy-model
                                  for chaos analysis of relativistic
                                  nuclear collisions at the present BNL
                                  energies . . . . . . . . . . . . . . . . 3059--3061
                 A. Stepsys and   
             S. Mickevicius and   
                D. Germanas and   
              R. K. Kalinauskas   HOTB: High precision parallel code for
                                  calculation of four-particle harmonic
                                  oscillator transformation brackets . . . 3062--3064
     Alejandro M. Aragón   A C++11 implementation of arbitrary-rank
                                  tensors for high-performance computing   3065--3066
          B. Mohammed-Azizi and   
                  D. E. Medjadi   Single particle calculations for a
                                  Woods--Saxon potential with triaxial
                                  deformations, and large Cartesian
                                  oscillator basis (TRIAXIAL 2014, Third
                                  version of the code Triaxial)  . . . . . 3067--3068

Computer Physics Communications
Volume 185, Number 12, December, 2014

                      Anonymous   Editorial Board  . . . . . . . . . . . . ifc--ifc
                  Sibo Wang and   
                   Junbo Xu and   
                        Hao Wen   The aggregation and diffusion of
                                  asphaltenes studied by GPU-accelerated
                                  dissipative particle dynamics  . . . . . 3069--3078
        Dmitry S. Efremenko and   
            Diego G. Loyola and   
               Adrian Doicu and   
             Robert J. D. Spurr   Multi-core-CPU and GPU-accelerated
                                  radiative transfer models based on the
                                  discrete ordinate method . . . . . . . . 3079--3089
      Diego González and   
                   Sergio Davis   Fitting of interatomic potentials
                                  without forces: a parallel particle
                                  swarm optimization algorithm . . . . . . 3090--3093
                   Omar Ramadan   Unconditionally stable split-step finite
                                  difference time domain formulations for
                                  double-dispersive electromagnetic
                                  materials  . . . . . . . . . . . . . . . 3094--3098
               Xiaopeng Luo and   
                Zhenzhou Lu and   
                         Xin Xu   Reproducing kernel technique for high
                                  dimensional model representations (HDMR) 3099--3108
            Hylke C. Donker and   
              Hans De Raedt and   
             Kristel Michielsen   Event-by-event simulation of a quantum
                                  delayed-choice experiment  . . . . . . . 3109--3118
                N. Yahyaoui and   
                   N. Sfina and   
      S. Abdi-Ben Nasrallah and   
              J.-L. Lazzari and   
                        M. Said   Electron transport through cubic
                                  InGaN/AlGaN resonant tunneling diodes    3119--3126
        D. Pfefferlé and   
               W. A. Cooper and   
               J. P. Graves and   
                       C. Misev   VENUS--LEVIS and its spline-Fourier
                                  interpolation of $3$D toroidal magnetic
                                  field representation for guiding-centre
                                  and full-orbit simulations of charged
                                  energetic particles  . . . . . . . . . . 3127--3140
                Yuri Eremin and   
                  Thomas Wriedt   New scheme of the Discrete Sources
                                  Method for light scattering analysis of
                                  a particle breaking interface  . . . . . 3141--3150
             Z. Kalogiratou and   
            Th. Monovasilis and   
                    T. E. Simos   A fourth order modified
                                  trigonometrically fitted symplectic
                                  Runge--Kutta--Nyström method  . . . . . . 3151--3155
         Ellen Fischermeier and   
         Dominik Bartuschat and   
             Tobias Preclik and   
          Matthieu Marechal and   
                    Klaus Mecke   Simulation of a hard-spherocylinder
                                  liquid crystal with the pe . . . . . . . 3156--3161
         Venera Khoromskaia and   
            Boris N. Khoromskij   Grid-based lattice summation of
                                  electrostatic potentials by assembled
                                  rank-structured tensor approximation . . 3162--3174
      Johannes M. Dieterich and   
         David B. Krisiloff and   
           Alexander Gaenko and   
            Florian Libisch and   
          Theresa L. Windus and   
             Mark S. Gordon and   
                Emily A. Carter   Shared-memory parallelization of a local
                                  correlation multi-reference CI program   3175--3188
               Jacek Narski and   
             Maurizio Ottaviani   Asymptotic Preserving scheme for
                                  strongly anisotropic parabolic equations
                                  for arbitrary anisotropy direction . . . 3189--3203
           D. P. Starinshak and   
                 J. M. Owen and   
                  J. N. Johnson   A new parallel algorithm for
                                  constructing Voronoi tessellations from
                                  distributed input data . . . . . . . . . 3204--3214
                Grigor Aslanyan   Cosmo++: an object-oriented C++ library
                                  for cosmology  . . . . . . . . . . . . . 3215--3227
        Andreas Krämer and   
        Marco Hülsmann and   
   Thorsten Köddermann and   
                     Dirk Reith   Automated parameterization of
                                  intermolecular pair potentials using
                                  global optimization techniques . . . . . 3228--3239
       Valentin V. Karasiev and   
            Travis Sjostrom and   
                  S. B. Trickey   Finite-temperature orbital-free DFT
                                  molecular dynamics: Coupling Profess and
                                  Quantum Espresso . . . . . . . . . . . . 3240--3249
                  Bernd A. Berg   Detection of a small shift in a broad
                                  distribution . . . . . . . . . . . . . . 3250--3258
       Kolahal Bhattacharya and   
               Arnab K. Pal and   
           Gobinda Majumder and   
                 Naba K. Mondal   Error propagation of the track model and
                                  track fitting strategy for the Iron
                                  CALorimeter detector in India-based
                                  neutrino observatory . . . . . . . . . . 3259--3268
              Orlando Ayala and   
          Hossein Parishani and   
                   Liu Chen and   
                Bogdan Rosa and   
                 Lian-Ping Wang   DNS of hydrodynamically interacting
                                  droplets in turbulent clouds: Parallel
                                  implementation and scalability analysis
                                  using $2$D domain decomposition  . . . . 3269--3290
        B. Ph. van Milligen and   
                     P. D. Bons   Simplified numerical model for
                                  clarifying scaling behavior in the
                                  intermediate dispersion regime in
                                  homogeneous porous media . . . . . . . . 3291--3301
             Colin W. Glass and   
             Steffen Reiser and   
        Gábor Rutkai and   
           Stephan Deublein and   
        Andreas Köster and   
   Gabriela Guevara-Carrion and   
                 Amer Wafai and   
              Martin Horsch and   
         Martin Bernreuther and   
          Thorsten Windmann and   
                 Hans Hasse and   
                  Jadran Vrabec   ms2: a molecular simulation tool for
                                  thermodynamic properties, new version
                                  release  . . . . . . . . . . . . . . . . 3302--3306
                    T. Loke and   
                 J. B. Wang and   
                     Y. H. Chen   OptQC: an optimized parallel quantum
                                  compiler . . . . . . . . . . . . . . . . 3307--3316
               Michael Borinsky   Feynman graph generation and
                                  calculations in the Hopf algebra of
                                  Feynman graphs . . . . . . . . . . . . . 3317--3330
      A. Gehrmann-De Ridder and   
                T. Gehrmann and   
            E. W. N. Glover and   
                    G. Heinrich   EERAD3: Event shapes and jet rates in
                                  electron-positron annihilation at order
                                  $ \alpha_s^3 $ . . . . . . . . . . . . . 3331--3340
                A. A. Gusev and   
           O. Chuluunbaatar and   
             S. I. Vinitsky and   
             A. G. Abrashkevich   KANTBP 3.0: New version of a program for
                                  computing energy levels, reflection and
                                  transmission matrices, and corresponding
                                  wave functions in the coupled-channel
                                  adiabatic approach . . . . . . . . . . . 3341--3343
                 Huy Nguyen and   
                    Hao Shi and   
                     Jie Xu and   
                   Shiwei Zhang   CPMC-Lab: a Matlab package for
                                  Constrained Path Monte Carlo
                                  calculations . . . . . . . . . . . . . . 3344--3357
                L. Orgogozo and   
                   N. Renon and   
                C. Soulaine and   
            F. Hénon and   
                S. K. Tomer and   
                   D. Labat and   
            O. S. Pokrovsky and   
                  M. Sekhar and   
                  R. Ababou and   
                    M. Quintard   An open source massively parallel solver
                                  for Richards equation: Mechanistic
                                  modelling of water fluxes at the
                                  watershed scale  . . . . . . . . . . . . 3358--3371
                  J. Baglio and   
             R. Gröber and   
        M. Mühlleitner and   
                D. T. Nhung and   
                  H. Rzehak and   
                   M. Spira and   
               J. Streicher and   
                        K. Walz   NMSSMCALC: a program package for the
                                  calculation of loop-corrected Higgs
                                  boson masses and decay widths in the
                                  (complex) NMSSM  . . . . . . . . . . . . 3372--3391
                Yanbiao Chu and   
            Pierre Gautreau and   
                Tarek Ragab and   
                  Cemal Basaran   An accelerated algorithm for full band
                                  electron-phonon scattering rate
                                  computation  . . . . . . . . . . . . . . 3392--3397
            Yukinobu Koyama and   
            Atsuki Shinbori and   
           Yoshimasa Tanaka and   
               Tomoaki Hori and   
       Masahito Nosé and   
                Satoshi Oimatsu   An Interactive Data Language software
                                  package to calculate ionospheric
                                  conductivity by using numerical models   3398--3405
              G. F. Bertsch and   
                  L. M. Robledo   Combinatorial level densities by the
                                  real-time method . . . . . . . . . . . . 3406--3411
            Roberto Contino and   
          Margherita Ghezzi and   
         Christophe Grojean and   
 Margarete Mühlleitner and   
                  Michael Spira   eHDECAY: an implementation of the Higgs
                                  effective Lagrangian into HDECAY . . . . 3412--3423
                    Chao Li and   
                  Hailing Xiong   $3$D simulation of the Cluster--Cluster
                                  Aggregation model  . . . . . . . . . . . 3424--3429
              Michele Dolfi and   
                 Bela Bauer and   
           Sebastian Keller and   
          Alexandr Kosenkov and   
      Timothée Ewart and   
             Adrian Kantian and   
          Thierry Giamarchi and   
                Matthias Troyer   Matrix product state applications for
                                  the ALPS project . . . . . . . . . . . . 3430--3440


Computer Physics Communications
Volume 186, Number ??, January, 2015

                      Anonymous   Editorial Board  . . . . . . . . . . . . ifc--ifc
                      Anonymous   \booktitleComputer Physics
                                  Communications --- List of Editors . . . iv--v
       Kevin Kröninger and   
           Steffen Schumann and   
            Benjamin Willenberg   $ (M C)^3 $ --- A Multi-Channel Markov
                                  Chain Monte Carlo algorithm for
                                  phase-space sampling . . . . . . . . . . 1--10
              Gui-Fang Shao and   
               Ting-Na Wang and   
               Tun-Dong Liu and   
               Jun-Ren Chen and   
               Ji-Wen Zheng and   
                     Yu-Hua Wen   Structural optimization of Pt--Pd alloy
                                  nanoparticles using an improved discrete
                                  particle swarm optimization algorithm    11--18
    Carlos A. Parra-Murillo and   
    Javier Madroñero and   
               Sandro Wimberger   Exact numerical methods for a many-body
                                  Wannier--Stark system  . . . . . . . . . 19--30
               YoungJin Kim and   
                 Min-Gu Yoo and   
                  S. H. Kim and   
                     Yong-Su Na   Development of vector following mesh
                                  generator for analysis of
                                  two-dimensional tokamak plasma transport 31--38
              Way Lee Cheng and   
              Ali Sheharyar and   
                  Reza Sadr and   
                Othmane Bouhali   Application of GPU processing for
                                  Brownian particle simulation . . . . . . 39--47
         P. Gerald Tennyson and   
              G. M. Karthik and   
                  G. Phanikumar   MPI + OpenCL implementation of a
                                  phase-field method incorporating CALPHAD
                                  description of Gibbs energies on
                                  heterogeneous computing platforms  . . . 48--64
                 B. Werlich and   
                T. Shakirov and   
               M. P. Taylor and   
                        W. Paul   Stochastic approximation Monte Carlo and
                                  Wang--Landau Monte Carlo applied to a
                                  continuum polymer model  . . . . . . . . 65--70
              I. M. Kulikov and   
             I. G. Chernykh and   
            A. V. Snytnikov and   
             B. M. Glinskiy and   
                  A. V. Tutukov   AstroPhi: a code for complex simulation
                                  of the dynamics of astrophysical objects
                                  using hybrid supercomputers  . . . . . . 71--80
              Josh A. Izaac and   
                 Jingbo B. Wang   pyCTQW: a continuous-time quantum walk
                                  simulator on distributed memory
                                  computers  . . . . . . . . . . . . . . . 81--92
                   G. Tiana and   
                   F. Villa and   
                    Y. Zhan and   
                 R. Capelli and   
                C. Paissoni and   
                P. Sormanni and   
                   E. Heard and   
               L. Giorgetti and   
                      R. Meloni   MonteGrappa: an iterative Monte Carlo
                                  program to optimize biomolecular
                                  potentials in simplified models  . . . . 93--104
                C. Paissoni and   
          D. Spiliotopoulos and   
                   G. Musco and   
                   A. Spitaleri   GMXPBSA 2.1: a GROMACS tool to perform
                                  MM/PBSA and computational alanine
                                  scanning . . . . . . . . . . . . . . . . 105--107
                    Bo Xiao and   
                       Hao Wang   An extended version of the simple and
                                  fast Feynman diagram generator
                                  EasyFeynDiag . . . . . . . . . . . . . . 108--109


Computer Physics Communications
Volume 187, Number ??, February, 2015

                      Anonymous   Editorial Board  . . . . . . . . . . . . ifc--ifc
               Banaras Khan and   
    H. A. Rahnamaye Aliabad and   
               N. Razghandi and   
                 M. Maqbool and   
        S. Jalali Asadabadi and   
                 Iftikhar Ahmad   Structural and thermoelectric properties
                                  of pure and La, Y doped HoMnO$_3$ for
                                  their use as alternative energy
                                  materials  . . . . . . . . . . . . . . . 1--7
         Francis P. Russell and   
          Karl A. Wilkinson and   
           Paul H. J. Kelly and   
          Chris-Kriton Skylaris   Optimised three-dimensional Fourier
                                  interpolation: an analysis of techniques
                                  and application to a linear-scaling
                                  density functional theory code . . . . . 8--19
           Cyprien Soulaine and   
            Michel Quintard and   
        Hervé Allain and   
           Bertrand Baudouy and   
              Rob Van Weelderen   A PISO-like algorithm to simulate
                                  superfluid helium flow with the
                                  two-fluid model  . . . . . . . . . . . . 20--28
          Bartlomiej Dybiec and   
                Igor M. Sokolov   Estimation of the smallest eigenvalue in
                                  fractional escape problems:
                                  Semi-analytics and fits  . . . . . . . . 29--37
              Leonard Z. Li and   
                Hai-Wei Sun and   
                  Sik-Chung Tam   A spatial sixth-order alternating
                                  direction implicit method for
                                  two-dimensional cubic nonlinear
                                  Schrödinger equations . . . . . . . . . . 38--48
     Lech Wiktor Piotrowski and   
             Marco Casolino and   
        Toshikazu Ebisuzaki and   
             Kazuhiro Higashide   The simulation of the LANFOS-H food
                                  radiation contamination detector using
                                  Geant4 package . . . . . . . . . . . . . 49--54
       Cristobal A. Navarro and   
           Fabrizio Canfora and   
           Nancy Hitschfeld and   
                Gonzalo Navarro   Parallel family trees for transfer
                                  matrices in the Potts model  . . . . . . 55--71
              M. P. Laburta and   
            J. I. Montijano and   
           L. Rández and   
                       M. Calvo   Numerical methods for non conservative
                                  perturbations of conservative problems   72--82
               Sapna Pandit and   
                Manoj Kumar and   
                 Surabhi Tiwari   Numerical simulation of second-order
                                  hyperbolic telegraph type equations with
                                  variable coefficients  . . . . . . . . . 83--90
         Dmitry Shcherbakov and   
          Matthias Ehrhardt and   
       Michael Günther and   
                Michael Peardon   Force-gradient nested multirate methods
                                  for Hamiltonian systems  . . . . . . . . 91--97
             Antoine Levitt and   
                   Marc Torrent   Parallel eigensolvers in plane-wave
                                  Density Functional Theory  . . . . . . . 98--105
              Xiao-mei Zhao and   
               Dong-fan Xie and   
                          Qi Li   Approaching system equilibrium with
                                  accurate or not accurate feedback
                                  information in a two-route system  . . . 106--114
             R. J. Hudspith and   
       On behalf of the RBC and   
           UKQCD Collaborations   Fourier accelerated conjugate gradient
                                  lattice gauge fixing . . . . . . . . . . 115--119
              Mauro Del Ben and   
            Ole Schütt and   
                  Tim Wentz and   
              Peter Messmer and   
           Jürg Hutter and   
             Joost VandeVondele   Enabling simulation at the fifth rung of
                                  DFT: Large scale RPA calculations with
                                  excellent time to solution . . . . . . . 120--129
             Andreas Alpers and   
            Peter Gritzmann and   
              Dmitry Moseev and   
                 Mirko Salewski   $3$D particle tracking velocimetry using
                                  dynamic discrete tomography  . . . . . . 130--136
          Takashi Minoshima and   
           Yosuke Matsumoto and   
                 Takanobu Amano   A finite volume formulation of the
                                  multi-moment advection scheme for Vlasov
                                  simulations of magnetized plasma . . . . 137--151
                 Paul K. Romano   An algorithm for generating random
                                  variates from the Madland--Nix fission
                                  energy spectrum  . . . . . . . . . . . . 152--155
                  Yuto Miyatake   A derivation of energy-preserving
                                  exponentially-fitted integrators for
                                  Poisson systems  . . . . . . . . . . . . 156--161
                   Y. Lutsyshyn   Fast quantum Monte Carlo on a GPU  . . . 162--174
                 W. Ryssens and   
               V. Hellemans and   
                  M. Bender and   
                   P.-H. Heenen   Solution of the Skyrme-HF+BCS equation
                                  on a $3$D mesh, II: a new version of the
                                  Ev8 code . . . . . . . . . . . . . . . . 175--194
                V. Eremenko and   
             N. J. Upadhyay and   
             I. J. Thompson and   
                 Ch. Elster and   
                F. M. Nunes and   
                 G. Arbanas and   
               J. E. Escher and   
                  L. Hlophe and   
on behalf of the TORUS Collaboration   Coulomb wave functions in momentum space 195--203
            A. J. C. Crespo and   
     J. M. Domínguez and   
               B. D. Rogers and   
   M. Gómez-Gesteira and   
                S. Longshaw and   
                 R. Canelas and   
                R. Vacondio and   
                A. Barreiro and   
          O. García-Feal   DualSPHysics: Open-source parallel CFD
                                  solver based on Smoothed Particle
                                  Hydrodynamics (SPH)  . . . . . . . . . . 204--216
                  P. Horgue and   
                C. Soulaine and   
                   J. Franc and   
                 R. Guibert and   
                    G. Debenest   An open-source toolbox for multiphase
                                  flow in porous media . . . . . . . . . . 217--226
               Manuel Drees and   
         Herbert K. Dreiner and   
               Jong Soo Kim and   
            Daniel Schmeier and   
               Jamie Tattersall   CheckMATE: Confronting your favourite
                                  new physics model with LHC data  . . . . 227--265
               Erhan Okuyan and   
                   Erkan Okuyan   A tool for pattern information
                                  extraction and defect quantification
                                  from crystal structures  . . . . . . . . 266--267


Computer Physics Communications
Volume 188, Number ??, March, 2015

                      Anonymous   Editorial Board  . . . . . . . . . . . . ifc--ifc
             C. N. Gilbreth and   
                    Y. Alhassid   Stabilizing canonical-ensemble
                                  calculations in the auxiliary-field
                                  Monte Carlo method . . . . . . . . . . . 1--6
            H. Grimm-Strele and   
                   F. Kupka and   
                  H. J. Muthsam   Achievable efficiency of numerical
                                  methods for simulations of solar surface
                                  convection . . . . . . . . . . . . . . . 7--20
                 S. Jolliet and   
              F. D. Halpern and   
                   J. Loizu and   
                 A. Mosetto and   
                    F. Riva and   
                       P. Ricci   Numerical approach to the parallel
                                  gradient operator in tokamak scrape-off
                                  layer turbulence simulations and
                                  application to the GBS code  . . . . . . 21--32
                  O. Asunta and   
                J. Govenius and   
                   R. Budny and   
             M. Gorelenkova and   
                 G. Tardini and   
            T. Kurki-Suonio and   
                   A. Salmi and   
             S. Sipilä and   
     the ASDEX Upgrade Team and   
      the JET EFDA Contributors   Modelling neutral beams in fusion
                                  devices: Beamlet-based model for fast
                                  particle simulations . . . . . . . . . . 33--46
                Danping Cao and   
                   Wenyuan Liao   A computational method for full waveform
                                  inversion of crosswell seismic data
                                  using automatic differentiation  . . . . 47--58
                     Ram Jiwari   A hybrid numerical scheme for the
                                  numerical solution of the Burgers'
                                  equation . . . . . . . . . . . . . . . . 59--67
            I. K. Gainullin and   
                   M. A. Sonkin   High-performance parallel solver for
                                  $3$D time-dependent Schrödinger equation
                                  for large-scale nanosystems  . . . . . . 68--75
          A. Gama Goicochea and   
  M. A. Balderas Altamirano and   
     J. D. Hernández and   
                E. Pérez   The role of the dissipative and random
                                  forces in the calculation of the
                                  pressure of simple fluids with
                                  dissipative particle dynamics  . . . . . 76--81
                H. Frerichs and   
                      D. Reiter   Stability and control of iterated
                                  non-linear transport solvers for fusion
                                  edge plasmas . . . . . . . . . . . . . . 82--87
                Yusuf Yakar and   
         Bekir Çakir and   
               Ayhan Özmen   Linear and nonlinear absorption
                                  coefficients of spherical two-electron
                                  quantum dot  . . . . . . . . . . . . . . 88--93
             Chung-Yuan Ren and   
           Chen-Shiung Hsue and   
                Yia-Chung Chang   A mixed basis density functional
                                  approach for low dimensional systems
                                  with B-splines . . . . . . . . . . . . . 94--102
                 Fu-Zhi Dai and   
                Wen-Zheng Zhang   An automatic and simple method for
                                  specifying dislocation features in
                                  atomistic simulations  . . . . . . . . . 103--109
             Olindo Zanotti and   
                Michael Dumbser   A high order special relativistic
                                  hydrodynamic and magnetohydrodynamic
                                  code with space--time adaptive mesh
                                  refinement . . . . . . . . . . . . . . . 110--127
            Stephen J. Sangwine   Comments on `A structure-preserving
                                  method for the quaternion LU
                                  decomposition in quaternionic quantum
                                  theory' by Minghui Wang and Wenhao Ma    128--130
                     Bin Tu and   
                    Yan Xie and   
                Linbo Zhang and   
                     Benzhuo Lu   Stabilized finite element methods to
                                  simulate the conductances of ion
                                  channels . . . . . . . . . . . . . . . . 131--139
              Li Guang Jiao and   
                     Yew Kam Ho   Computation of two-electron screened
                                  Coulomb potential integrals in Hylleraas
                                  basis sets . . . . . . . . . . . . . . . 140--147
                    Erik Panzer   Algorithms for the symbolic integration
                                  of hyperlogarithms with applications to
                                  Feynman integrals  . . . . . . . . . . . 148--166
               G. Poghosyan and   
                   S. Matta and   
                  A. Streit and   
                  M. Bejger and   
               A. Królak   Architecture, implementation and
                                  parallelization of the software to
                                  search for periodic gravitational wave
                                  signals  . . . . . . . . . . . . . . . . 167--176
           Mikael Mortensen and   
        Kristian Valen-Sendstad   Oasis: a high-level/high-performance
                                  open source Navier--Stokes solver  . . . 177--188
          Randolf Beerwerth and   
                    Heiko Bauke   Krylov subspace methods for the Dirac
                                  equation . . . . . . . . . . . . . . . . 189--197
              Andreas Kempf and   
             Patrick Kilian and   
                  Urs Ganse and   
           Cedric Schreiner and   
                  Felix Spanier   PICPANTHER: a simple, concise
                                  implementation of the relativistic
                                  moment implicit particle-in-cell method  198--207
                      J. Rosiek   SUSY FLAVOR v2.5: a computational tool
                                  for FCNC and CP-violating processes in
                                  the MSSM . . . . . . . . . . . . . . . . 208--210


Computer Physics Communications
Volume 189, Number ??, April, 2015

                      Anonymous   Editorial Board  . . . . . . . . . . . . ifc--ifc
                 J. Kuipers and   
                    T. Ueda and   
            J. A. M. Vermaseren   Code optimization in FORM  . . . . . . . 1--19
                  Shota Ono and   
          Yoshifumi Noguchi and   
               Ryoji Sahara and   
          Yoshiyuki Kawazoe and   
                     Kaoru Ohno   TOMBO: All-electron mixed-basis approach
                                  to condensed matter physics  . . . . . . 20--30
               M. Aldegunde and   
                       K. Kalna   Energy conserving, self-force free Monte
                                  Carlo simulations of semiconductor
                                  devices on unstructured meshes . . . . . 31--36
                 N. Mai-Duy and   
              N. Phan-Thien and   
                     B. C. Khoo   Investigation of particles size effects
                                  in Dissipative Particle Dynamics (DPD)
                                  modelling of colloidal suspensions . . . 37--46
            M. E. Innocenti and   
                    A. Beck and   
               T. Ponweiser and   
                S. Markidis and   
                     G. Lapenta   Introduction of temporal sub-stepping in
                                  the Multi-Level Multi-Domain
                                  semi-implicit Particle-In-Cell code
                                  Parsek2D-MLMD  . . . . . . . . . . . . . 47--59
              Rong-Bin Chen and   
              Yu-Huang Chiu and   
                    Ming-Fa Lin   Beating oscillations of magneto-optical
                                  spectra in simple hexagonal graphite . . 60--65
       Isabelle Charpentier and   
            Claude Dal Cappello   Higher-order automatic differentiation
                                  of mathematical functions  . . . . . . . 66--71
                 Ding-wei Huang   Modeling gridlock at roundabout  . . . . 72--76
    Konstantin V. Tretiakov and   
     Krzysztof W. Wojciechowski   Quick and accurate estimation of the
                                  elastic constants using the minimum
                                  image method . . . . . . . . . . . . . . 77--83
                Dmitry I. Lyakh   An efficient tensor transpose algorithm
                                  for multicore CPU, Intel Xeon Phi, and
                                  NVidia Tesla GPU . . . . . . . . . . . . 84--91
                S. Frijters and   
             T. Krüger and   
                     J. Harting   Parallelised Hoshen--Kopelman algorithm
                                  for lattice-Boltzmann simulations  . . . 92--98
                  Zu-Hui Ma and   
              Weng Cho Chew and   
                  Yu Mao Wu and   
                   Li Jun Jiang   A new multilevel method for
                                  electrostatic problems through
                                  hierarchical loop basis  . . . . . . . . 99--105
                  Zhijie Xu and   
               Dongsheng Li and   
                     Wei Xu and   
               Arun Devaraj and   
               Robert Colby and   
Suntharampillai Thevuthasan and   
               B. P. Geiser and   
                   D. J. Larson   Simulation of heterogeneous atom probe
                                  tip shapes evolution during field
                                  evaporation using a level set method and
                                  different evaporation models . . . . . . 106--113
              T. Kittelmann and   
                        M. Boin   Polycrystalline neutron scattering for
                                  Geant4: NXSG4  . . . . . . . . . . . . . 114--118
             Liang-Chun Liu and   
                    Jer-Lai Kuo   A LAMMPS implementation of
                                  volume-temperature replica exchange
                                  molecular dynamics . . . . . . . . . . . 119--127
          Vladimir V. Bytev and   
                Bernd A. Kniehl   HYPERDIRE HYPERgeometric functions
                                  DIfferential REduction:
                                  Mathematica-based packages for the
                                  differential reduction of generalized
                                  hypergeometric functions: Horn-type
                                  hypergeometric functions of two
                                  variables  . . . . . . . . . . . . . . . 128--154
                   K. Kabin and   
                      G. Bonner   Motion of a charged particle in an
                                  axisymmetric longitudinal magnetic field
                                  that is inversely proportional to the
                                  radius . . . . . . . . . . . . . . . . . 155--161
            Mark A. Zentile and   
             James Keaveney and   
                 Lee Weller and   
          Daniel J. Whiting and   
           Charles S. Adams and   
                 Ifan G. Hughes   ElecSus: a program to calculate the
                                  electric susceptibility of an atomic
                                  ensemble . . . . . . . . . . . . . . . . 162--174
              V. M. Shabaev and   
             I. I. Tupitsyn and   
                 V. A. Yerokhin   QEDMOD: Fortran program for calculating
                                  the model Lamb-shift operator  . . . . . 175--181
                  A. V. Smirnov   FIRE5: a C++ implementation of Feynman
                                  Integral REduction . . . . . . . . . . . 182--191
             B. C. Allanach and   
               A. Bednyakov and   
              R. Ruiz de Austri   Higher order corrections and unification
                                  in the minimal supersymmetric standard
                                  model: SOFTSUSY3.5 . . . . . . . . . . . 192--206
           Marek Frankowski and   
          Jakub Checi\'nski and   
             Maciej Czapkiewicz   Spatial Spectrum Analyzer (SSA): a tool
                                  for calculations of spatial distribution
                                  of Fast Fourier Transform spectrum from
                                  Object Oriented Micromagnetic Framework
                                  output data  . . . . . . . . . . . . . . 207--212
                Fawei Zheng and   
                 Ping Zhang and   
                    Wenhui Duan   Quantum Unfolding: a program for
                                  unfolding electronic energy bands of
                                  materials  . . . . . . . . . . . . . . . 213--219
               YoungJin Kim and   
                 Min-Gu Yoo and   
                  S. H. Kim and   
                     Yong-Su Na   Corrigendum to ``Development of vector
                                  following mesh generator for analysis of
                                  two dimensional tokamak plasma
                                  transport'' [Comput. Phys. Comm. \bf 186
                                  (2015) 31--38] . . . . . . . . . . . . . 220


Computer Physics Communications
Volume 190, Number ??, May, 2015

                      Anonymous   Editorial Board  . . . . . . . . . . . . ifc--ifc
            A. L. Zheleznyakova   Molecular dynamics-based triangulation
                                  algorithm of free-form parametric
                                  surfaces for computer-aided engineering  1--14
        Sebastian C. Binder and   
Esteban A. Hernandez-Vargas and   
          Michael Meyer-Hermann   Reducing complexity: an iterative
                                  strategy for parameter determination in
                                  biological networks  . . . . . . . . . . 15--22
             Olle Penttinen and   
            Håkan Nilsson   A fully synthetic turbulent boundary
                                  condition with a homogeneous vortex
                                  distribution . . . . . . . . . . . . . . 23--32
                Franz Knuth and   
         Christian Carbogno and   
              Viktor Atalla and   
                Volker Blum and   
             Matthias Scheffler   All-electron formalism for total energy
                                  strain derivatives and stress tensor
                                  components for numeric atom-centered
                                  orbitals . . . . . . . . . . . . . . . . 33--50
            Christoph Begau and   
               Godehard Sutmann   Adaptive dynamic load-balancing with
                                  irregular domain decomposition for
                                  particle simulations . . . . . . . . . . 51--61
                   M. Motta and   
                G. Bertaina and   
                D. E. Galli and   
                      E. Vitali   Implementation of the linear method for
                                  the optimization of Jastrow--Feenberg
                                  and backflow correlations  . . . . . . . 62--71
                Jungpyo Lee and   
                 Antoine Cerfon   ECOM: a fast and accurate solver for
                                  toroidal axisymmetric MHD equilibria . . 72--88
                     Z. Guo and   
                    S. M. Xiong   On solving the $3$-D phase field
                                  equations by employing a
                                  parallel-adaptive mesh refinement
                                  (Para-AMR) algorithm . . . . . . . . . . 89--97
                C. D. Sijoy and   
                  S. Chaturvedi   TRHD: Three-temperature
                                  radiation-hydrodynamics code with an
                                  implicit non-equilibrium radiation
                                  transport using a cell-centered
                                  monotonic finite volume scheme on
                                  unstructured-grids . . . . . . . . . . . 98--119
          Takenobu Nakamura and   
            Shuhei Kawamoto and   
                 Wataru Shinoda   Precise calculation of the local
                                  pressure tensor in Cartesian and
                                  spherical coordinates in LAMMPS  . . . . 120--128
             Arturs Scukins and   
             Vitaliy Bardik and   
               Evgen Pavlov and   
                  Dmitry Nerukh   Molecular Dynamics implementation of
                                  BN2D or `Mercedes Benz' water model  . . 129--138
               Peter Athron and   
             Jae-hyeon Park and   
    Dominik Stöckinger and   
                Alexander Voigt   FlexibleSUSY --- a spectrum generator
                                  generator for supersymmetric models  . . 139--172
                   Bo Zhang and   
                    Bo Peng and   
             Jingfang Huang and   
         Nikos P. Pitsianis and   
                Xiaobai Sun and   
                     Benzhuo Lu   Parallel AFMPB solver with automatic
                                  surface meshing for calculation of
                                  molecular solvation free energy  . . . . 173--181
         César Ayala and   
                  Gorazd Cvetic   anQCD: a Mathematica package for
                                  calculations in general analytic QCD
                                  models . . . . . . . . . . . . . . . . . 182--199
              David Schaich and   
                 Thomas DeGrand   Parallel software for lattice $ {\cal N}
                                  = 4 $ supersymmetric Yang--Mills theory  200--212
              G. Ciaramella and   
                    A. Borz\`\i   SKRYN: a fast semismooth-Krylov--Newton
                                  method for controlling Ising spin
                                  systems  . . . . . . . . . . . . . . . . 213--223
       Ján Busa, Jr. and   
            Ján Busa and   
              Shura Hayryan and   
                Chin-Kun Hu and   
                   Ming-Chya Wu   CAVE-CL: an OpenCL version of the
                                  package for detection and quantitative
                                  analysis of internal cavities in a
                                  system of overlapping balls: Application
                                  to proteins  . . . . . . . . . . . . . . 224--227
                 Mohan Chen and   
                Junchao Xia and   
                 Chen Huang and   
      Johannes M. Dieterich and   
                 Linda Hung and   
                Ilgyou Shin and   
                Emily A. Carter   Introducing PROFESS 3.0: an advanced
                                  program for orbital-free density
                                  functional theory molecular dynamics
                                  simulations  . . . . . . . . . . . . . . 228--230
                 W. Ryssens and   
               V. Hellemans and   
                  M. Bender and   
                   P.-H. Heenen   Corrigendum to ``Solution of the
                                  Skyrme-HF+BCS equation on a $3$D mesh
                                  II. A new version of the Ev8 code''
                                  [Comput. Phys. Comm. 187 (2) (2015)
                                  175--194]  . . . . . . . . . . . . . . . 231


Computer Physics Communications
Volume 191, Number ??, June, 2015

                      Anonymous   Editorial Board  . . . . . . . . . . . . ifc--ifc
              Amanda Streib and   
                Noah Streib and   
              Isabel Beichl and   
               Francis Sullivan   Stratified sampling for the Ising model:
                                  a graph-theoretic approach . . . . . . . 1--8
                M. Pfeiffer and   
                   A. Mirza and   
                 C.-D. Munz and   
                    S. Fasoulas   Two statistical particle split and merge
                                  methods for Particle-in-Cell codes . . . 9--24
                   Katja Biswas   An iterative aggregation and
                                  disaggregation method for the steady
                                  state solution of large scale continuous
                                  systems  . . . . . . . . . . . . . . . . 25--32
              George Rawitscher   A spectral Phase-Amplitude method for
                                  propagating a wave function to large
                                  distances  . . . . . . . . . . . . . . . 33--42
          J. Francés and   
                   B. Otero and   
                   S. Bleda and   
                 S. Gallego and   
                   C. Neipp and   
          A. Márquez and   
             A. Beléndez   Multi-GPU and multi-CPU accelerated FDTD
                                  scheme for vibroacoustic applications    43--51
               Xian-Ming Gu and   
             Markus Clemens and   
             Ting-Zhu Huang and   
                       Liang Li   The SCBiCG class of algorithms for
                                  complex symmetric linear systems with
                                  applications in several electromagnetic
                                  model problems . . . . . . . . . . . . . 52--64
                  M. Vranic and   
               T. Grismayer and   
              J. L. Martins and   
              R. A. Fonseca and   
                    L. O. Silva   Particle merging algorithm for PIC codes 65--73
                    P. Kant and   
                 O. M. Kind and   
               T. Kintscher and   
                   T. Lohse and   
                 T. Martini and   
            S. Mölbitz and   
                   P. Rieck and   
                        P. Uwer   HatHor for single top-quark production:
                                  Updated predictions and uncertainty
                                  estimates for single top-quark
                                  production in hadronic collisions  . . . 74--89
                Ya-Min Quan and   
              Qing-wei Wang and   
                Da-Yong Liu and   
              Xiang-Long Yu and   
                 Liang-Jian Zou   Numerical optimization algorithm for
                                  rotationally invariant multi-orbital
                                  slave-boson method . . . . . . . . . . . 90--99
José-María Martí   On the correction of conserved variables
                                  for numerical RMHD with staggered
                                  constrained transport  . . . . . . . . . 100--105
          Ruhan Thirayatorn and   
         Pairot Moontragoon and   
    Vittaya Amornkitbamrung and   
             Santi Meansiri and   
                   Zoran Ikonic   Finite-difference calculation of the
                                  electronic structure of artificial
                                  graphene, the $2$D hexagonal
                                  Al$_w$Ga$_{1 - w}$As/GaAs structure with
                                  tunable interactions . . . . . . . . . . 106--118
             Mikael Leetmaa and   
         Natalia V. Skorodumova   Mean square displacements with error
                                  estimates from non-equidistant time-step
                                  kinetic Monte Carlo simulations  . . . . 119--124
            Nelson A. Alves and   
            Lucas D. Morero and   
               Leandro G. Rizzi   Microcanonical thermostatistics analysis
                                  without histograms: Cumulative
                                  distribution and Bayesian approaches . . 125--131
                 Amparo Gil and   
              Javier Segura and   
                  Nico M. Temme   GammaCHI: a package for the inversion
                                  and computation of the gamma and
                                  chi-square cumulative distribution
                                  functions (central and noncentral) . . . 132--139
             J. Spiechowicz and   
                  M. Kostur and   
                     L. Machura   GPU accelerated Monte Carlo simulation
                                  of Brownian motors dynamics with CUDA    140--149
                   Zhong-Li Liu   Phasego: a toolkit for automatic
                                  calculation and plot of phase diagram    150--158
Torbjörn Sjöstrand and   
                 Stefan Ask and   
     Jesper R. Christiansen and   
              Richard Corke and   
              Nishita Desai and   
               Philip Ilten and   
             Stephen Mrenna and   
             Stefan Prestel and   
     Christine O. Rasmussen and   
                Peter Z. Skands   An introduction to PYTHIA 8.2  . . . . . 159--177
              J. M. Verbeke and   
                 J. Randrup and   
                        R. Vogt   Fission Reaction Event Yield Algorithm,
                                  FREYA --- For event-by-event simulation
                                  of fission . . . . . . . . . . . . . . . 178--202
            Kevin P. Bishop and   
            Steve Constable and   
             Nabil F. Faruk and   
            Pierre-Nicholas Roy   OpenMM accelerated MMTK  . . . . . . . . 203--208
                 Ruben Otin and   
             Jaco Verpoorte and   
           Harmen Schippers and   
                   Roger Isanta   A finite element tool for the
                                  electromagnetic analysis of braided
                                  cable shields  . . . . . . . . . . . . . 209--220
                T. C. Scott and   
                  Wenxing Zhang   Efficient hybrid-symbolic methods for
                                  quantum mechanical calculations  . . . . 221--234
          Sebastian Wouters and   
              Ward Poelmans and   
      Stijn De Baerdemacker and   
              Paul W. Ayers and   
               Dimitri Van Neck   CheMPS2: Improved DMRG--SCF routine and
                                  correlation functions  . . . . . . . . . 235--237


Computer Physics Communications
Volume 192, Number ??, July, 2015

                      Anonymous   Editorial Board  . . . . . . . . . . . . ifc--ifc
            Mikito Furuichi and   
                    Dave A. May   Implicit solution of the material
                                  transport in Stokes flow simulation:
                                  Toward thermal convection simulation
                                  surrounded by free surface . . . . . . . 1--11
                     Xin Xu and   
                Zhenzhou Lu and   
                   Xiaopeng Luo   A numerical meshless method of
                                  soliton-like structures model via an
                                  optimal sampling density based kernel
                                  interpolation  . . . . . . . . . . . . . 12--22
                   Liang Li and   
    Stéphane Lanteri and   
                Ronan Perrussel   A class of locally well-posed
                                  hybridizable discontinuous Galerkin
                                  methods for the solution of
                                  time-harmonic Maxwell's equations  . . . 23--31
                Peicheng Yu and   
                   Xinlu Xu and   
            Viktor K. Decyk and   
            Frederico Fiuza and   
               Jorge Vieira and   
             Frank S. Tsung and   
         Ricardo A. Fonseca and   
                     Wei Lu and   
              Luis O. Silva and   
                 Warren B. Mori   Elimination of the numerical Cerenkov
                                  instability for spectral EM--PIC codes   32--47
                R. P. Dhote and   
                   H. Gomez and   
            R. N. V. Melnik and   
                          J. Zu   Shape memory alloy nanostructures with
                                  coupled dynamic thermo-mechanical
                                  effects  . . . . . . . . . . . . . . . . 48--53
                D. Schouten and   
                 A. DeAbreu and   
                     B. Stelzer   Accelerated matrix element method with
                                  parallel computing . . . . . . . . . . . 54--59
        Sergey V. Levchenko and   
                 Xinguo Ren and   
      Jürgen Wieferink and   
             Rainer Johanni and   
              Patrick Rinke and   
                Volker Blum and   
             Matthias Scheffler   Hybrid functionals for large periodic
                                  systems in an all-electron, numeric
                                  atom-centered basis framework  . . . . . 60--69
                    Marco Vanni   Accurate modelling of flow induced
                                  stresses in rigid colloidal aggregates   70--90
            Ken-ichi Nomura and   
           Patrick E. Small and   
             Rajiv K. Kalia and   
            Aiichiro Nakano and   
                Priya Vashishta   An extended-Lagrangian scheme for charge
                                  equilibration in reactive molecular
                                  dynamics simulations . . . . . . . . . . 91--96
                Jens Glaser and   
           Trung Dac Nguyen and   
         Joshua A. Anderson and   
                    Pak Lui and   
              Filippo Spiga and   
            Jaime A. Millan and   
             David C. Morse and   
              Sharon C. Glotzer   Strong scaling of general-purpose
                                  molecular dynamics simulations on GPUs   97--107
                 G. Turemen and   
                    G. Unel and   
                   B. Yasatekin   A graphical approach to radio frequency
                                  quadrupole design  . . . . . . . . . . . 108--113
       Valentin V. Karasiev and   
        Debajit Chakraborty and   
                  S. B. Trickey   Improved analytical representation of
                                  combinations of Fermi--Dirac integrals
                                  for finite-temperature density
                                  functional calculations  . . . . . . . . 114--123
               Han-Xin Yang and   
                    Liang Huang   Opinion percolation in structured
                                  population . . . . . . . . . . . . . . . 124--129
           Daniel G. Harvey and   
      Alexander G. Fletcher and   
           James M. Osborne and   
               Joe Pitt-Francis   A parallel implementation of an
                                  off-lattice individual-based model of
                                  multicellular populations  . . . . . . . 130--137
              Dominic Roehm and   
            Robert S. Pavel and   
              Kipton Barros and   
       Bertrand Rouet-Leduc and   
         Allen L. McPherson and   
         Timothy C. Germann and   
             Christoph Junghans   Distributed Database Kriging for
                                  Adaptive Sampling (D$^2$KAS) . . . . . . 138--147
                    Dan Cai and   
                Lijun Zhang and   
                        Yong Du   Application of locally one-dimensional
                                  semi-implicit scheme in phase-field
                                  equations  . . . . . . . . . . . . . . . 148--155
                P. Dunzlaff and   
              R. D. Strauss and   
                M. S. Potgieter   Solving Parker's transport equation with
                                  stochastic differential equations on
                                  GPUs . . . . . . . . . . . . . . . . . . 156--165
               Robert Feger and   
              Thomas W. Kephart   LieART --- a Mathematica application for
                                  Lie algebras and representation theory   166--195
    Aleksandr Chernatynskiy and   
              Simon R. Phillpot   Phonon Transport Simulator (PhonTS)  . . 196--204
             C. D. Cantwell and   
                   D. Moxey and   
               A. Comerford and   
                   A. Bolis and   
                   G. Rocco and   
                G. Mengaldo and   
               D. De Grazia and   
                S. Yakovlev and   
              J.-E. Lombard and   
               D. Ekelschot and   
                   B. Jordi and   
                      H. Xu and   
                Y. Mohamied and   
               C. Eskilsson and   
                  B. Nelson and   
                     P. Vos and   
                  C. Biotto and   
                R. M. Kirby and   
                  S. J. Sherwin   Nektar++: an open-source spectral/$ h p
                                  $ element framework  . . . . . . . . . . 205--219
         Michal Januszewski and   
               Andrzej Ptok and   
             Dawid Crivelli and   
              Bartlomiej Gardas   GPU-based acceleration of free energy
                                  calculations in solid state physics  . . 220--227
    Marcos Rodríguez and   
             Fernando Blesa and   
                 Roberto Barrio   OpenCL parallel integration of ordinary
                                  differential equations: Applications in
                                  computational dynamics . . . . . . . . . 228--236
                   A. Cuoci and   
             A. Frassoldati and   
               T. Faravelli and   
                       E. Ranzi   OpenSMOKE++: an object-oriented
                                  framework for the numerical modeling of
                                  reactive systems with detailed kinetic
                                  mechanisms . . . . . . . . . . . . . . . 237--264
               S. V. Isakov and   
           I. N. Zintchenko and   
        T. F. Rònnow and   
                      M. Troyer   Optimised simulated annealing for Ising
                                  spin glasses . . . . . . . . . . . . . . 265--271
Daniel Muñoz-Santiburcio and   
Alfonso Hernández-Laguna and   
                   Juan I. Soto   AWESoMe: a code for the calculation of
                                  phase and group velocities of acoustic
                                  waves in homogeneous solids  . . . . . . 272--277
             Aaron H. Brown and   
               Tiffany R. Walsh   An improved TIGER2 implementation for
                                  NAMD suitable for the Blue Gene
                                  architecture . . . . . . . . . . . . . . 278--281
                  E. Delage and   
                 Q. T. Pham and   
              M. Karamitros and   
                   H. Payno and   
                  V. Stepan and   
                 S. Incerti and   
                  L. Maigne and   
                      Y. Perrot   PDB4DNA: Implementation of DNA geometry
                                  from the Protein Data Bank (PDB)
                                  description for Geant4-DNA Monte-Carlo
                                  simulations  . . . . . . . . . . . . . . 282--288
        Rafael López and   
Jaime Fernández Rico and   
   Guillermo Ramírez and   
                Ignacio Ema and   
                 David Zorrilla   DAMQT 2.0: a new version of the DAMQT
                                  package for the analysis of electron
                                  density in molecules . . . . . . . . . . 289--294
              J. L. Cercos-Pita   AQUAgpusph, a new free $3$D SPH solver
                                  accelerated with OpenCL  . . . . . . . . 295--312
                D. G. Green and   
                   C. N. Harvey   SIMLA: Simulating particle dynamics in
                                  intense laser and other electromagnetic
                                  fields via classical and quantum
                                  electrodynamics  . . . . . . . . . . . . 313--321
         G. Bélanger and   
                F. Boudjema and   
                  A. Pukhov and   
                     A. Semenov   micrOMEGAs4.1: Two dark matter
                                  candidates . . . . . . . . . . . . . . . 322--329
                  Bin Zhang and   
                   Zengxiu Zhao   SLIMP: Strong laser interaction model
                                  package for atoms and molecules  . . . . 330--341
                Patrick Ferrand   GPScan.VI: a general-purpose LabVIEW
                                  program for scanning imaging or any
                                  application requiring synchronous analog
                                  voltage generation and data acquisition  342--347
           Bertrand Thierry and   
             Xavier Antoine and   
              Chokri Chniti and   
                Hasan Alzubaidi   $ \mu $-diff: an open-source Matlab
                                  toolbox for computing multiple
                                  scattering problems by disks . . . . . . 348--362


Computer Physics Communications
Volume 193, Number ??, August, 2015

                      Anonymous   Editorial Board  . . . . . . . . . . . . ifc--ifc
           C. Masato Nakano and   
               Hye Suk Byun and   
                    Heng Ma and   
                    Tao Wei and   
           Mohamed Y. El-Naggar   A framework for stochastic simulations
                                  and visualization of biological
                                  electron-transfer dynamics . . . . . . . 1--9
                      S. Blanes   Explicit symplectic RKN methods for
                                  perturbed non-autonomous oscillators:
                                  Splitting, extended and exponentially
                                  fitting methods  . . . . . . . . . . . . 10--18
               Medha Sharma and   
                 M. A. H. Ahsan   Organization of the Hilbert space for
                                  exact diagonalization of Hubbard model   19--29
              A. S. M. Jiao and   
             P. W. M. Tsang and   
                     T.-C. Poon   Restoration of digital off-axis Fresnel
                                  hologram by exemplar and search based
                                  image inpainting with enhanced computing
                                  speed  . . . . . . . . . . . . . . . . . 30--37
            Yousef El-Kurdi and   
       Maryam Mehri Dehnavi and   
            Warren J. Gross and   
          Dennis Giannacopoulos   Parallel finite element technique using
                                  Gaussian belief propagation  . . . . . . 38--48
                  Haiyan Li and   
               Yunbao Huang and   
               Shaoen Jiang and   
               Longfei Jing and   
                   Yongkun Ding   An efficient computational approach for
                                  evaluating radiation flux for laser
                                  driven inertial confinement fusion
                                  targets  . . . . . . . . . . . . . . . . 49--54
                     Ram Jiwari   Lagrange interpolation and modified
                                  cubic B-spline differential quadrature
                                  methods for solving hyperbolic partial
                                  differential equations with Dirichlet
                                  and Neumann boundary conditions  . . . . 55--65
     Joaquín Peralta and   
             Claudia Loyola and   
                   Sergio Davis   A GPU enhanced approach to identify
                                  atomic vacancies in solid materials  . . 66--71
              Hai-Xia Cheng and   
                 Yao-Wen Hu and   
               Xiao-Xu Wang and   
              Guo-Hua Zhang and   
                 Zhi-Wei An and   
            Zhen-Feng Zhang and   
                 Biao Zhang and   
                   Tao Zhou and   
                  Ping Qian and   
                   Ying Liu and   
                  Nan-Xian Chen   The phase stability, magnetic and
                                  vibrational properties of
                                  A$_2$Ni$_{21}$B$_6$ ($ A = $ Th, U) and
                                  Ce$_3$Pd$_{20}$Si$_6$  . . . . . . . . . 72--77
             Robert A. Bell and   
         Simon M.-M. Dubois and   
           Michael C. Payne and   
               Arash A. Mostofi   Electronic transport calculations in the
                                  \sc onetep code: Implementation and
                                  applications . . . . . . . . . . . . . . 78--88
               Dai-Mei Zhou and   
               Yu-Liang Yan and   
               Xing-Long Li and   
                Xiao-Mei Li and   
               Bao-Guo Dong and   
                     Xu Cai and   
                     Ben-Hao Sa   An upgraded issue of the parton and
                                  hadron cascade model, PACIAE 2.2 . . . . 89--94
             Xavier Antoine and   
                 Romain Duboscq   GPELab, a Matlab toolbox to solve
                                  Gross--Pitaevskii equations II: Dynamics
                                  and stochastic simulations . . . . . . . 95--117
                  Hong Ding and   
            Bharat Medasani and   
                   Wei Chen and   
         Kristin A. Persson and   
           Maciej Haranczyk and   
                      Mark Asta   PyDII: a Python framework for computing
                                  equilibrium intrinsic point defect
                                  concentrations and extrinsic solute site
                                  preferences in intermetallic compounds   118--123
             Tasmiat Rahman and   
               Kristel Fobelets   Efficient tool flow for $3$D
                                  photovoltaic modelling . . . . . . . . . 124--130
           Hendrik Sträter   PARPLE: Detailed automatized and
                                  parallel evaluation of luminescence
                                  mappings . . . . . . . . . . . . . . . . 131--137
     Jürgen Waxenegger and   
       Andreas Trügler and   
              Ulrich Hohenester   Plasmonics simulations with the MNPBEM
                                  toolbox: Consideration of substrates and
                                  layer structures . . . . . . . . . . . . 138--150


Computer Physics Communications
Volume 194, Number ??, September, 2015

                      Anonymous   Editorial Board  . . . . . . . . . . . . ifc--ifc
                     P. Lee and   
                      J.-L. Vay   Efficiency of the Perfectly Matched
                                  Layer with high-order finite difference
                                  and pseudo-spectral Maxwell solvers  . . 1--9
                Tak Pui Lou and   
              Bernhard Ludewigt   MMAPDNG: a new, fast code backed by a
                                  memory-mapped database for simulating
                                  delayed $ \gamma $-ray emission with
                                  MCNPX package  . . . . . . . . . . . . . 10--17
           Daisuke Nishiura and   
            Mikito Furuichi and   
                 Hide Sakaguchi   Computational performance of a smoothed
                                  particle hydrodynamics simulation for
                                  shared-memory parallel computing . . . . 18--32
        Eduardo X. Miqueles and   
     Carlos A. Pérez and   
   Vanessa I. Suárez and   
           Rafael F. C. Vescovi   Grazing-incidence XRF analysis of
                                  layered samples: Detailed study of
                                  amplitude calculation  . . . . . . . . . 33--42
                 Haksu Moon and   
       Fernando L. Teixeira and   
             Yuri A. Omelchenko   Exact charge-conserving scatter-gather
                                  algorithm for particle-in-cell
                                  simulations on unstructured grids: a
                                  geometric perspective  . . . . . . . . . 43--53
                Yukihiro Komura   GPU-based cluster-labeling algorithm
                                  without the use of conventional
                                  iteration: Application to the
                                  Swendsen--Wang multi-cluster spin flip
                                  algorithm  . . . . . . . . . . . . . . . 54--58
                      M. Erturk   Exponential type orbitals with
                                  generalized hyperbolic cosine functions
                                  for atomic systems . . . . . . . . . . . 59--63
        Svyatoslav Chugunov and   
                   Changying Li   Parallel implementation of inverse
                                  adding-doubling and Monte Carlo
                                  multi-layered programs for high
                                  performance computing systems with
                                  shared and distributed memory  . . . . . 64--75
             Roberto Barrio and   
               Angeles Dena and   
                 Warwick Tucker   A database of rigorous and
                                  high-precision periodic orbits of the
                                  Lorenz model . . . . . . . . . . . . . . 76--83
                  Bin Zhang and   
               Jianmin Yuan and   
                   Zengxiu Zhao   DMTDHF: a full dimensional
                                  time-dependent Hartree--Fock program for
                                  diatomic molecules in strong laser
                                  fields . . . . . . . . . . . . . . . . . 84--96
                Martin Hunt and   
             Benjamin Haley and   
           Michael McLennan and   
          Marisol Koslowski and   
             Jayathi Murthy and   
             Alejandro Strachan   PUQ: a code for non-intrusive
                                  uncertainty propagation in computer
                                  simulations  . . . . . . . . . . . . . . 97--107


Computer Physics Communications
Volume 195, Number ??, October, 2015

                      Anonymous   Editorial Board  . . . . . . . . . . . . ifc--ifc
             Bastien Grosso and   
        Valentino R. Cooper and   
                Polina Pine and   
             Adham Hashibon and   
                Yuval Yaish and   
                     Joan Adler   Visualization of electronic density  . . 1--13
         T. I. Riikilä and   
                T. Tallinen and   
       J. Åström and   
                     J. Timonen   A discrete-element model for
                                  viscoelastic deformation and fracture of
                                  glacial ice  . . . . . . . . . . . . . . 14--22
                  Deng Zhao and   
                    R. E. Waltz   Numerical methods for nonlinear
                                  simulations of cyclokinetics
                                  illustrating the breakdown of
                                  gyrokinetics at high turbulence levels   23--34
                 E. Endress and   
                    C. Pena and   
                  K. Sivalingam   Variance reduction with practical
                                  all-to-all lattice propagators . . . . . 35--48
  Konstantinos Kourtzanidis and   
     François Rogier and   
              Jean-Pierre Boeuf   ADI--FDTD modeling of microwave plasma
                                  discharges in air towards fully
                                  three-dimensional simulations  . . . . . 49--60
              J. D. Ramshaw and   
                    C. H. Chang   Numerical stability in multifluid gas
                                  dynamics with implicit drag forces . . . 61--67
                 Haruhiko Kohno   An efficient, high-order finite element
                                  method using the nodal averaging
                                  technique for incompressible fluid flows 68--76
           Jelena Stankovic and   
         Predrag Marinkovic and   
       Olivera Ciraj-Bjelac and   
            Jelica Kaljevic and   
          Danijela Arandjic and   
              Djordje Lazarevic   Toward utilization of MCNP5 particle
                                  track output file for simulation
                                  problems in photon spectrometry  . . . . 77--83
                Yukihiro Komura   Multi-GPU-based Swendsen--Wang
                                  multi-cluster algorithm with reduced
                                  data traffic . . . . . . . . . . . . . . 84--94
           W. Michael Brown and   
    Jan-Michael Y. Carrillo and   
              Nitin Gavhane and   
           Foram M. Thakkar and   
             Steven J. Plimpton   Optimizing legacy molecular dynamics
                                  software with directive-based offload    95--101
                 Y. L. Chen and   
                 C. Z. Tian and   
                       L. X. Li   A key-node finite element method and its
                                  application to porous materials  . . . . 102--111
                 Xiang Chen and   
    Aleksandr Chernatynskiy and   
               Liming Xiong and   
                   Youping Chen   A coherent phonon pulse model for
                                  transient phonon thermal transport . . . 112--116
            R. Kishor Kumar and   
           Luis E. Young-S. and   
         Dusan Vudragovi\'c and   
                Antun Balaz and   
      Paulsamy Muruganandam and   
                 S. K. Adhikari   Fortran and C programs for the
                                  time-dependent dipolar Gross--Pitaevskii
                                  equation in an anisotropic trap  . . . . 117--128
             Mirco Zerbetto and   
                 Diego Frezzato   Multidimensional integration through
                                  Markovian sampling under steered
                                  function morphing: a physical guise from
                                  statistical mechanics  . . . . . . . . . 129--139
                   Li Huang and   
                 Yilin Wang and   
               Zi Yang Meng and   
                   Liang Du and   
             Philipp Werner and   
                         Xi Dai   $i$QIST: an open source continuous-time
                                  quantum Monte Carlo impurity solver
                                  toolkit  . . . . . . . . . . . . . . . . 140--160
              Ansgar Denner and   
           Stefan Dittmaier and   
            Stefan Kallweit and   
            Alexander Mück   HAWK 2.0: a Monte Carlo program for
                                  Higgs production in vector-boson fusion
                                  and Higgs strahlung at hadron colliders  161--171
                Martin Wiebusch   HEPMath 1.4: a Mathematica package for
                                  semi-automatic computations in high
                                  energy physics . . . . . . . . . . . . . 172--190
                 Changru Ma and   
         Layla Martin-Samos and   
             Stefano Fabris and   
            Alessandro Laio and   
                Simone Piccinin   QMMMW: a wrapper for QM/MM simulations
                                  with Quantum ESPRESSO and LAMMPS . . . . 191--198
               M. G. Kozlov and   
               S. G. Porsev and   
            M. S. Safronova and   
                 I. I. Tupitsyn   CI--MBPT: a package of programs for
                                  relativistic atomic calculations based
                                  on a method combining configuration
                                  interaction and many-body perturbation
                                  theory . . . . . . . . . . . . . . . . . 199--213
               Erkan Okuyan and   
                   Ceyda Okuyan   BilKristal 4.0: a tool for crystal
                                  parameters extraction and defect
                                  quantification . . . . . . . . . . . . . 214--215
                 J. Avellar and   
       A. L. G. C. Claudino and   
            L. G. S. Duarte and   
            L. A. C. P. da Mota   Finding higher order Darboux polynomials
                                  for a family of rational first order
                                  ordinary differential equations  . . . . 216--217
               I. V. Grossu and   
                  C. Besliu and   
                   Al. Jipa and   
                   D. Felea and   
                    E. Stan and   
                       T. Esanu   Support for massless particles in Chaos
                                  Many-Body Engine simulations of nuclear
                                  collisions at relativistic energies  . . 218--220
                 J. Avellar and   
            L. G. S. Duarte and   
            L. A. C. P. da Mota   Improving a family of Darboux methods
                                  for rational second order ordinary
                                  differential equations . . . . . . . . . 221--223


Computer Physics Communications
Volume 196, Number ??, November, 2015

                      Anonymous   Editorial Board  . . . . . . . . . . . . ifc--ifc
                 T. C. Tsai and   
                   H.-S. Yu and   
                M.-S. Hsieh and   
                  S. H. Lai and   
                     Y.-H. Yang   Implicit predictor-corrector central
                                  finite difference scheme for the
                                  equations of magnetohydrodynamic
                                  simulations  . . . . . . . . . . . . . . 1--12
                   John P. Boyd   Four ways to compute the inverse of the
                                  complete elliptic integral of the first
                                  kind . . . . . . . . . . . . . . . . . . 13--18
                Xiang Cheng and   
               Stefan Boettcher   Jamming in hierarchical networks . . . . 19--26
              Xiaogang Yang and   
          J. Ruud van Ommen and   
          Jasper Schoormans and   
                Robert F. Mudde   A hybrid tomographic reconstruction
                                  algorithm for high speed X-ray
                                  tomography . . . . . . . . . . . . . . . 27--35
             Martin Schlipf and   
           François Gygi   Optimization algorithm for the
                                  generation of ONCV pseudopotentials  . . 36--44
              Denis F. Hinz and   
        Alexander Panchenko and   
               Tae-Yeon Kim and   
                    Eliot Fried   Particle-based simulations of
                                  self-motile suspensions  . . . . . . . . 45--57
       Bijan Chokoufe Nejad and   
               Thorsten Ohl and   
             Jürgen Reuter   Simple, parallel virtual machines for
                                  extreme computations . . . . . . . . . . 58--69
              R. Haelterman and   
                  D. Van Eester   Accelerating the convergence of a
                                  tokamak modeling code with Aitken's
                                  method . . . . . . . . . . . . . . . . . 70--79
           Kamil Brádler   Hiking a generalized Dyck path: a
                                  tractable way of calculating multimode
                                  boson evolution operators  . . . . . . . 80--91
                Y. C. Chang and   
              Waleed E. Mahmoud   Simulation of optical excitation spectra
                                  of semiconductor nanowires within
                                  effective bond orbital model . . . . . . 92--112
                 Shuvam Sen and   
                Jiten C. Kalita   A 4OEC scheme for the biharmonic steady
                                  Navier--Stokes equations in
                                  non-rectangular domains  . . . . . . . . 113--133
          Jonathan A. Walsh and   
             Paul K. Romano and   
              Benoit Forget and   
                  Kord S. Smith   Optimizations of the energy grid search
                                  algorithm in continuous-energy Monte
                                  Carlo particle transport codes . . . . . 134--142
      Matthew P. Kroonblawd and   
               Thomas D. Sewell   Strategies for non-uniform sampling of
                                  molecular dynamics phase space
                                  trajectories of relaxation phenomena . . 143--148
             Arman Boromand and   
                Safa Jamali and   
                   Joao M. Maia   Viscosity measurement techniques in
                                  Dissipative Particle Dynamics  . . . . . 149--160
          Konstantin G. Savvidy   The MIXMAX random number generator . . . 161--165
           Jürgen Fuhrmann   Comparison and numerical treatment of
                                  generalised Nernst--Planck models  . . . 166--178
                    R. Pepe and   
             A. Bonfiglioli and   
                A. D'Angola and   
                 G. Colonna and   
                    R. Paciorri   An unstructured shock-fitting solver for
                                  hypersonic plasma flows in chemical
                                  non-equilibrium  . . . . . . . . . . . . 179--193
                    K. Zhou and   
                   S. H. Ni and   
                     Z. F. Tian   Exponential high-order compact scheme on
                                  nonuniform grids for the steady MHD duct
                                  flow problems with high Hartmann numbers 194--211
                A. Valentim and   
         Claudio J. DaSilva and   
                Carlos E. Fiore   Efficient simulated tempering with
                                  approximated weights: Applications to
                                  first-order phase transitions  . . . . . 212--220
         Brendan B. Godfrey and   
                   Jean-Luc Vay   Improved numerical Cherenkov instability
                                  suppression in the generalized PSTD PIC
                                  algorithm  . . . . . . . . . . . . . . . 221--225
                  Hang Ning and   
                    T. E. Simos   High algebraic order Runge--Kutta type
                                  two-step method with vanished phase-lag
                                  and its first, second, third, fourth,
                                  fifth and sixth derivatives  . . . . . . 226--235
          Emilio Gallicchio and   
                Junchao Xia and   
           William F. Flynn and   
              Baofeng Zhang and   
           Sade Samlalsingh and   
               Ahmet Mentes and   
                 Ronald M. Levy   Asynchronous replica exchange software
                                  for grid and heterogeneous computing . . 236--246
        Evangelos Voyiatzis and   
       Michael C. Böhm and   
     Florian Müller-Plathe   A geometric approach to identify
                                  cavities in particle systems . . . . . . 247--254
             Nicolas Moreno and   
            Suzana P. Nunes and   
                 Victor M. Calo   Consistent model reduction of polymer
                                  chains in solution in dissipative
                                  particle dynamics: Model description . . 255--266
               R. A. Hansel and   
                C. N. Brock and   
              B. C. Paikoff and   
              A. R. Tackett and   
                   D. G. Walker   Automated generation of highly accurate,
                                  efficient and transferable
                                  pseudopotentials . . . . . . . . . . . . 267--275
                 A. W. Bray and   
        I. B. Abdurakhmanov and   
              A. S. Kadyrov and   
                D. V. Fursa and   
                        I. Bray   Solving close-coupling equations in
                                  momentum space without singularities . . 276--279
                Andres Mena and   
            Jose M. Ferrero and   
        Jose F. Rodriguez Matas   GPU accelerated solver for nonlinear
                                  reaction-diffusion systems. Application
                                  to the electrophysiology problem . . . . 280--289
                   M. Lulli and   
               M. Bernaschi and   
                      G. Parisi   Highly optimized simulations on single-
                                  and multi-GPU systems of the $3$D Ising
                                  spin glass model . . . . . . . . . . . . 290--303
           Athanasios Mokos and   
         Benedict D. Rogers and   
           Peter K. Stansby and   
José M. Domínguez   Multi-phase SPH modelling of violent
                                  hydrodynamics on GPUs  . . . . . . . . . 304--316
                   K. C. Ng and   
                Y. H. Hwang and   
              T. W. H. Sheu and   
                       C. H. Yu   Moving Particle Level-Set (MPLS) method
                                  for incompressible multiphase flow
                                  computation  . . . . . . . . . . . . . . 317--334
          Pavel F. Bessarab and   
            Valery M. Uzdin and   
          Hannes Jónsson   Method for finding mechanism and
                                  activation energy of magnetic
                                  transitions, applied to skyrmion and
                                  antivortex annihilation  . . . . . . . . 335--347
           Mikhail V. Popov and   
           Tatiana G. Elizarova   Smoothed MHD equations for numerical
                                  simulations of ideal quasi-neutral gas
                                  dynamic flows  . . . . . . . . . . . . . 348--361
    J. M. Solano-Altamirano and   
Julio M. Hernández-Pérez   DensToolKit: a comprehensive open-source
                                  package for analyzing the electron
                                  density and its derivative scalar and
                                  vector fields  . . . . . . . . . . . . . 362--371
L. F. Hernández-García and   
          V. Cabrera-Arenas and   
  L. M. Reséndiz-Mendoza   On the convergence of the algorithm for
                                  simulating organic solar cells . . . . . 372--379
                  Ryo Urano and   
                   Yuko Okamoto   Designed-walk replica-exchange method
                                  for simulations of complex systems . . . 380--383
             E. V. Aksenova and   
              D. I. Kokorin and   
                  V. P. Romanov   Simulation of multiple scattering in the
                                  systems with complicated phase function  384--389
             M. E. Wosniack and   
               E. P. Raposo and   
          G. M. Viswanathan and   
                M. G. E. da Luz   A parallel algorithm for random searches 390--397
          Olivier Parcollet and   
             Michel Ferrero and   
               Thomas Ayral and   
          Hartmut Hafermann and   
              Igor Krivenko and   
               Laura Messio and   
                  Priyanka Seth   TRIQS: a toolbox for research on
                                  interacting quantum systems  . . . . . . 398--415
                   A. Jablonski   The Chandrasekhar function revisited . . 416--428
                John Tracey and   
    Filippo Federici Canova and   
              Olli Keisanen and   
               David Z. Gao and   
              Peter Spijker and   
           Bernhard Reischl and   
                 Adam S. Foster   Flexible and modular virtual scanning
                                  probe microscope . . . . . . . . . . . . 429--438
            Andrew Ian Duff and   
               M. W. Finnis and   
            Philippe Maugis and   
          Barend J. Thijsse and   
           Marcel H. F. Sluiter   MEAMfit: a reference-free modified
                                  embedded atom method (RF-MEAM) energy
                                  and force-fitting code . . . . . . . . . 439--445
        Alfonso Niño and   
  Camelia Muñoz-Caro and   
         Sebastián Reyes   APINetworks: a general API for the
                                  treatment of complex networks in
                                  arbitrary computational environments . . 446--454
          Zachary H. Levine and   
                 Adam L. Pintar   A fixed-memory moving, expanding window
                                  for obtaining scatter corrections in
                                  X-ray CT and other stochastic averages   455--459
               Iurii Timrov and   
              Nathalie Vast and   
              Ralph Gebauer and   
                 Stefano Baroni   turboEELS --- a code for the simulation
                                  of the electron energy loss and
                                  inelastic X-ray scattering spectra using
                                  the Liouville--Lanczos approach to
                                  time-dependent density-functional
                                  perturbation theory  . . . . . . . . . . 460--469
                 S. Borowka and   
                G. Heinrich and   
                S. P. Jones and   
                  M. Kerner and   
                 J. Schlenk and   
                       T. Zirke   SecDec-3.0: Numerical evaluation of
                                  multi-scale integrals beyond one loop    470--491
            Rodrigo Aldecoa and   
              Chiara Orsini and   
                Dmitri Krioukov   Hyperbolic graph generator . . . . . . . 492--496
           David A. Kosower and   
          J. J. Lopez-Villarejo   Flowgen: Flowchart-based documentation
                                  for C++ codes  . . . . . . . . . . . . . 497--505
       Christian Y. Cardall and   
            Reuben D. Budiardja   GenASiS Basics: Object-oriented
                                  utilitarian functionality for
                                  large-scale physics simulations  . . . . 506--534
               Jong Soo Kim and   
            Daniel Schmeier and   
           Jamie Tattersall and   
            Krzysztof Rolbiecki   A framework to create customised LHC
                                  analyses within CheckMATE  . . . . . . . 535--562
                Karol Kolodziej   carlomat\_3.0, an automatic tool for the
                                  electron-positron annihilation into
                                  hadrons at low energies  . . . . . . . . 563--568
Carlos A. Argüelles Delgado and   
              Jordi Salvado and   
          Christopher N. Weaver   A Simple Quantum Integro-Differential
                                  Solver (SQuIDS)  . . . . . . . . . . . . 569--591
                    M. Bury and   
                 A. van Hameren   Numerical evaluation of multi-gluon
                                  amplitudes for High Energy Factorization 592--598
                 A. Butykai and   
                  F. M. Mor and   
             R. Gaál and   
P. Domínguez-García and   
            L. Forró and   
                       S. Jeney   Calibration of optical tweezers with
                                  non-spherical probes via high-resolution
                                  detection of Brownian motion . . . . . . 599--610
             Mikael Leetmaa and   
         Natalia V. Skorodumova   KMCLib 1.1: Extended random number
                                  support and technical updates to the
                                  KMCLib general framework for kinetic
                                  Monte-Carlo simulations  . . . . . . . . 611--613
            David A. Bonhommeau   MCMC$^2$ (version 1.1.1): a Monte Carlo
                                  code for multiply charged clusters . . . 614--616
            Enrico Bothmann and   
            Nathan Hartland and   
               Steffen Schumann   Introducing MCgrid 2.0: Projecting cross
                                  section calculations on grids  . . . . . 617--618
               Laurent Orgogozo   RichardsFoam2: a new version of
                                  RichardsFoam devoted to the modelling of
                                  the vadose zone  . . . . . . . . . . . . 619--620


Computer Physics Communications
Volume 197, Number ??, December, 2015

                      Anonymous   Editorial Board  . . . . . . . . . . . . ifc--ifc
                 Hugh F. Wilson   Efficient ab initio free energy
                                  calculations by classically assisted
                                  trajectory sampling  . . . . . . . . . . 1--6
           Andrzej Biborski and   
      Andrzej P. Kadzielawa and   
            Józef Spalek   Combined shared and distributed memory
                                  ab-initio computations of
                                  molecular-hydrogen systems in the
                                  correlated state: Process pool solution
                                  and two-level parallelism  . . . . . . . 7--16
              V. V. Arsoski and   
            N. A. Cukari\'c and   
              M. Z. Tadi\'c and   
                  F. M. Peeters   An efficient finite-difference scheme
                                  for computation of electron states in
                                  free-standing and core-shell quantum
                                  wires  . . . . . . . . . . . . . . . . . 17--26
                Safa Jamali and   
             Arman Boromand and   
           Shaghayegh Khani and   
                      Joao Maia   Gaussian-inspired auxiliary
                                  non-equilibrium thermostat (GIANT) for
                                  Dissipative Particle Dynamics
                                  simulations  . . . . . . . . . . . . . . 27--34
                   Yali Gao and   
                 Liquan Mei and   
                         Rui Li   A time-splitting Galerkin finite element
                                  method for the Davey--Stewartson
                                  equations  . . . . . . . . . . . . . . . 35--42
                 Ali Shokri and   
                Fatemeh Afshari   High-order compact ADI method using
                                  predictor-corrector scheme for $2$D
                                  complex Ginzburg--Landau equation  . . . 43--50
               Ziguang Chen and   
                  Florin Bobaru   Selecting the kernel in a peridynamic
                                  formulation: a study for transient heat
                                  diffusion  . . . . . . . . . . . . . . . 51--60
              Motoki Nakata and   
            Masanori Nunami and   
         Tomo-Hiko Watanabe and   
                   Hideo Sugama   Improved collision operator for plasma
                                  kinetic simulations with multi-species
                                  ions and electrons . . . . . . . . . . . 61--72
                    G. Chen and   
               L. Chacón   A multi-dimensional, energy- and
                                  charge-conserving, nonlinearly implicit,
                                  electromagnetic Vlasov--Darwin
                                  particle-in-cell algorithm . . . . . . . 73--87
     Alejandro López and   
           William Nicholls and   
       Matthew T. Stickland and   
            William M. Dempster   CFD study of Jet Impingement Test
                                  erosion using Ansys Fluent$^\reg $ and
                                  OpenFOAM$^\reg $ . . . . . . . . . . . . 88--95
                 Jingwen Wu and   
                 Hongjiong Tian   Functionally-fitted block methods for
                                  second order ordinary differential
                                  equations  . . . . . . . . . . . . . . . 96--108
                 K. Gilmore and   
                John Vinson and   
              E. L. Shirley and   
             D. Prendergast and   
            C. D. Pemmaraju and   
                  J. J. Kas and   
                 F. D. Vila and   
                     J. J. Rehr   Efficient implementation of
                                  core-excitation Bethe--Salpeter equation
                                  calculations . . . . . . . . . . . . . . 109--117
            E. Estevez-Rams and   
         C. Perez-Demydenko and   
B. Aragón Fernández and   
                R. Lora-Serrano   Visualizing long vectors of measurements
                                  by use of the Hilbert curve  . . . . . . 118--127
                  Ryo Urano and   
                   Yuko Okamoto   Deterministic replica-exchange method
                                  without pseudo random numbers for
                                  simulations of complex systems . . . . . 128--135
           Andrew T. Barker and   
                   Martin Stoll   Domain decomposition in time for
                                  PDE-constrained optimization . . . . . . 136--143
                Peicheng Yu and   
                   Xinlu Xu and   
              Adam Tableman and   
            Viktor K. Decyk and   
             Frank S. Tsung and   
            Frederico Fiuza and   
             Asher Davidson and   
               Jorge Vieira and   
         Ricardo A. Fonseca and   
                     Wei Lu and   
              Luis O. Silva and   
                 Warren B. Mori   Mitigation of numerical Cerenkov
                                  radiation and instability using a hybrid
                                  finite difference-FFT Maxwell solver and
                                  a local charge conserving current
                                  deposit  . . . . . . . . . . . . . . . . 144--152
              Changfeng Xue and   
             Qiongwei Huang and   
                 Shaozhong Deng   Coulomb Green's function and image
                                  potential near a cylindrical diffuse
                                  interface  . . . . . . . . . . . . . . . 153--168
              S. Edvardsson and   
                  M. Neuman and   
            P. Edström and   
                        H. Olin   Solving equations through particle
                                  dynamics . . . . . . . . . . . . . . . . 169--181
              N. Mohankumar and   
                  Soubhadra Sen   Some remarks regarding a modified
                                  Gauss--Legendre scheme . . . . . . . . . 182--184
            Marius Wallraff and   
           Christopher Wiebusch   Calculation of oscillation probabilities
                                  of atmospheric neutrinos using nuCraft   185--189
                  C. Voglis and   
          P. E. Hadjidoukas and   
          K. E. Parsopoulos and   
         D. G. Papageorgiou and   
              I. E. Lagaris and   
                 M. N. Vrahatis   p-MEMPSODE: Parallel and irregular
                                  memetic global optimization  . . . . . . 190--211
                   Pierre Hirel   Atomsk: a tool for manipulating and
                                  converting atomic data files . . . . . . 212--219
       Christos Dimitroulis and   
          Theophanes Raptis and   
                Vasilios Raptis   POLYANA --- A tool for the calculation
                                  of molecular radial distribution
                                  functions based on Molecular Dynamics
                                  trajectories . . . . . . . . . . . . . . 220--226
           Marco Lauricella and   
         Giuseppe Pontrelli and   
               Ivan Coluzza and   
            Dario Pisignano and   
                    Sauro Succi   JETSPIN: a specific-purpose open-source
                                  software for simulations of nanofiber
                                  electrospinning  . . . . . . . . . . . . 227--238
                Celine Degrande   Automatic evaluation of UV and $ R_2 $
                                  terms for beyond the Standard Model
                                  Lagrangians: a proof-of-principle  . . . 239--262
                D. Barducci and   
                 A. Belyaev and   
              M. Buchkremer and   
               J. Marrouche and   
                 S. Moretti and   
                     L. Panizzi   XQCAT: eXtra Quark Combined Analysis
                                  Tool . . . . . . . . . . . . . . . . . . 263--275
                 Hiren H. Patel   Package-X: a Mathematica package for the
                                  analytic calculation of one-loop
                                  integrals  . . . . . . . . . . . . . . . 276--290
                 I. Hornyak and   
                   A. T. Kruppa   An algorithm for the calculation of the
                                  partial wave expansion of the
                                  Coulomb-distorted plane wave . . . . . . 291--297
                Yukihiro Komura   OpenACC programs of the Swendsen--Wang
                                  multi-cluster spin flip algorithm  . . . 298--303
                 Sunhwan Jo and   
                      Wei Jiang   A generic implementation of replica
                                  exchange with solute tempering (REST2)
                                  algorithm in NAMD for complex
                                  biophysical simulations  . . . . . . . . 304--311
               Johan Alwall and   
                Claude Duhr and   
              Benjamin Fuks and   
          Olivier Mattelaer and   
Deniz Gizem Öztürk and   
                Chia-Hsien Shen   Computing decay rates for new physics
                                  theories with FeynRules and MadGraph
                                  5$_{\rm aMC@NLO}$  . . . . . . . . . . . 312--323
                Predrag Lazi\'c   CellMatch: Combining two unit cells into
                                  a common supercell with minimal strain   324--334
             Chao-Hsi Chang and   
              Xian-You Wang and   
                   Xing-Gang Wu   BCVEGPY2.2: a newly upgraded version for
                                  hadronic production of the meson $ B_c $
                                  and its excited states . . . . . . . . . 335--338
               Peter Wittek and   
                 Luca Calderaro   Extended computational kernels in a
                                  massively parallel implementation of the
                                  Trotter--Suzuki approximation  . . . . . 339--340
                   Zhong-Li Liu   Phasego 2.0: Counting full anharmonic
                                  effects from high-temperature phonon
                                  density of states  . . . . . . . . . . . 341--342


Computer Physics Communications
Volume 198, Number ??, January, 2016

                      Anonymous   Editorial Board  . . . . . . . . . . . . ifc--ifc
                      Anonymous   Computer Physics Communications --- List
                                  of Editors . . . . . . . . . . . . . . . iv--v
     M. A. Esmaili Sikarudi and   
               A. H. Nikseresht   Neumann and Robin boundary conditions
                                  for heat conduction modeling using
                                  smoothed particle hydrodynamics  . . . . 1--11
                Yuri Eremin and   
                  Thomas Wriedt   Discrete Sources Method for light
                                  scattering analysis of non-axisymmetric
                                  features of a substrate  . . . . . . . . 12--21
         L. Ciocci Brazzano and   
             L. J. Pellizza and   
               C. L. Matteo and   
               P. A. Sorichetti   A Bayesian method for analysing
                                  relaxation spectra . . . . . . . . . . . 22--30
                   Q. Z. Lv and   
             D. J. Jennings and   
                   J. Betke and   
                      Q. Su and   
                       R. Grobe   Optimized spatial matrix representations
                                  of quantum Hamiltonians  . . . . . . . . 31--40
                   Ianik Plante   Calculation of the second term of the
                                  exact Green's function of the diffusion
                                  equation for diffusion-controlled
                                  chemical reactions . . . . . . . . . . . 41--46
              E. Camporeale and   
             G. L. Delzanno and   
               B. K. Bergen and   
                  J. D. Moulton   On the velocity space discretization for
                                  the Vlasov--Poisson system: Comparison
                                  between implicit Hermite spectral and
                                  Particle-in-Cell methods . . . . . . . . 47--58
                  Xinmin Ge and   
                   Hua Wang and   
                  Yiren Fan and   
              Yingchang Cao and   
                   Hua Chen and   
                      Rui Huang   Joint inversion of $ T_1 - T_2 $
                                  spectrum combining the iterative
                                  truncated singular value decomposition
                                  and the parallel particle swarm
                                  optimization algorithms  . . . . . . . . 59--70
                   A. Ammon and   
                    A. Genz and   
                 T. Hartung and   
                  K. Jansen and   
             H. Leövey and   
                      J. Volmer   On the efficient numerical solution of
                                  lattice systems with low-order couplings 71--81
                Dawei Zheng and   
         Gisela Pöplau and   
              Ursula van Rienen   Efficiency optimization of a fast
                                  Poisson solver in beam dynamics
                                  simulation . . . . . . . . . . . . . . . 82--96
                H. Q. Kafri and   
                    S. A. Khuri   Bratu's problem: a novel approach using
                                  fixed-point iterations and Green's
                                  functions  . . . . . . . . . . . . . . . 97--104
                  D. Jarema and   
             H. J. Bungartz and   
             T. Görler and   
                   F. Jenko and   
                  T. Neckel and   
                        D. Told   Block-structured grids for Eulerian
                                  gyrokinetic simulations  . . . . . . . . 105--117
                   Hang Xie and   
                 Feng Jiang and   
                  Wei E. I. Sha   Numerical methods for spin-dependent
                                  transport calculations and spin bound
                                  states analysis in Rashba waveguides . . 118--127
          Szymon Winczewski and   
             Jacek Dziedzic and   
               Jaroslaw Rybicki   A highly-efficient technique for
                                  evaluating bond-orientational order
                                  parameters . . . . . . . . . . . . . . . 128--138
           Andreas Stegmeir and   
               David Coster and   
                   Omar Maj and   
          Klaus Hallatschek and   
                   Karl Lackner   The field line map approach for
                                  simulations of magnetically confined
                                  plasmas  . . . . . . . . . . . . . . . . 139--153
                Jaron T. Krogel   Nexus: a modular workflow management
                                  system for quantum simulation codes  . . 154--168
                 Timo Graen and   
         Helmut Grubmüller   NuSol --- Numerical solver for the $3$D
                                  stationary nuclear Schrödinger equation   169--178
       Sandra Vergara-Perez and   
                Marcelo Marucho   MPBEC, a Matlab Program for Biomolecular
                                  Electrostatic Calculations . . . . . . . 179--194
                 Vinzenz Maurer   T3PS v1.0: Tool for Parallel Processing
                                  in Parameter Scans . . . . . . . . . . . 195--215
               Khalid Jamil and   
       Siraj-ul-Islam Ahmad and   
                 Shahid Manzoor   HIBRA: a computer code for heavy ion
                                  binary reaction analysis employing ion
                                  track detectors  . . . . . . . . . . . . 216--221
                 Petr Hosek and   
                 Vojtech Spiwok   Metadyn View: Fast web-based viewer of
                                  free energy surfaces calculated by
                                  metadynamics . . . . . . . . . . . . . . 222--229
                T. Hynninen and   
                 L. Himanen and   
               V. Parkkinen and   
                   T. Musso and   
                J. Corander and   
                   A. S. Foster   An object oriented Python interface for
                                  atomistic simulations  . . . . . . . . . 230--237
                 Hua-Sheng Shao   HELAC-Onia 2.0: an upgraded
                                  matrix-element and event generator for
                                  heavy quarkonium physics . . . . . . . . 238--259
                      Feng Feng   APart 2: a generalized Mathematica Apart
                                  function . . . . . . . . . . . . . . . . 260--261
            P. J. J. Luukko and   
           E. Räsänen   Corrigendum to ``Imaginary time
                                  propagation code for large-scale
                                  two-dimensional eigenvalue problems in
                                  magnetic fields'' [Comput. Phys. Comm.
                                  \bf 184(3) (2013) 769--776]  . . . . . . 262


Computer Physics Communications
Volume 199, Number ??, February, 2016

                      Anonymous   Editorial Board  . . . . . . . . . . . . ifc--ifc
          Djurre H. de Jong and   
          Svetlana Baoukina and   
 Helgi I. Ingólfsson and   
             Siewert J. Marrink   Martini straight: Boosting performance
                                  using a shorter cutoff and GPUs  . . . . 1--7
    K. Silpaja Chandrasekar and   
         M. V. Sangaranarayanan   Exact enumeration of conformations for
                                  two and three dimensional lattice
                                  proteins . . . . . . . . . . . . . . . . 8--11
      R. G. M. van der Sman and   
              M. B. J. Meinders   Analysis of improved Lattice Boltzmann
                                  phase field method for soluble
                                  surfactants  . . . . . . . . . . . . . . 12--21
             A. V. Vlasenko and   
               A. Köhl and   
                     D. Stammer   The efficiency of geophysical adjoint
                                  codes generated by automatic
                                  differentiation tools  . . . . . . . . . 22--28
                    M. Held and   
            M. Wiesenberger and   
                    A. Stegmeir   Three discontinuous Galerkin schemes for
                                  the anisotropic heat conduction equation
                                  on non-aligned grids . . . . . . . . . . 29--39
                J. Eriksson and   
                  S. Conroy and   
 E. Andersson Sundén and   
                    C. Hellesen   Calculating fusion neutron energy
                                  spectra from arbitrary reactant
                                  distributions  . . . . . . . . . . . . . 40--46
               Chiaki Yamaguchi   Proposal of a checking parameter in the
                                  simulated annealing method applied to
                                  the spin glass model . . . . . . . . . . 47--52
                 S. Sitarek and   
               T. Stacewicz and   
                    M. Posyniak   Software for retrieval of aerosol
                                  particle size distribution from
                                  multiwavelength lidar signals  . . . . . 53--60
                  Chun Shen and   
                    Zhi Qiu and   
               Huichao Song and   
             Jonah Bernhard and   
               Steffen Bass and   
                   Ulrich Heinz   The iEBE--VISHNU code package for
                                  relativistic heavy-ion collisions  . . . 61--85
                N. Davidson and   
             T. Przedzinski and   
                         Z. Was   PHOTOS interface in C++: Technical and
                                  physics documentation  . . . . . . . . . 86--101
              Julio Almansa and   
      Francesc Salvat-Pujol and   
Gloria Díaz-Londoño and   
             Artur Carnicer and   
         Antonio M. Lallena and   
                Francesc Salvat   PENGEOM --- A general-purpose geometry
                                  package for Monte Carlo simulation of
                                  radiation transport in material systems
                                  defined by quadric surfaces  . . . . . . 102--113
         César Ayala and   
                  Gorazd Cvetic   anQCD: Fortran programs for couplings at
                                  complex momenta in various analytic QCD
                                  models . . . . . . . . . . . . . . . . . 114--117
             A. Dobrowolski and   
                K. Pomorski and   
                      J. Bartel   Solving the eigenvalue problem of the
                                  nuclear Yukawa-folded mean-field
                                  Hamiltonian  . . . . . . . . . . . . . . 118--132
      J. Solanpää and   
            P. J. J. Luukko and   
           E. Räsänen   Bill2d --- A software package for
                                  classical two-dimensional Hamiltonian
                                  systems  . . . . . . . . . . . . . . . . 133--138
      Stéphane Balac and   
               Arnaud Fernandez   SPIP: a computer program implementing
                                  the Interaction Picture method for
                                  simulation of light-wave propagation in
                                  optical fibre  . . . . . . . . . . . . . 139--152
       Serguei Patchkovskii and   
                   H. G. Muller   Simple, accurate, and efficient
                                  implementation of $1$-electron atomic
                                  time-dependent Schrödinger equation in
                                  spherical coordinates  . . . . . . . . . 153--169
           Miroslav Urbanek and   
            Pavel Soldán   Parallel implementation of the
                                  time-evolving block decimation algorithm
                                  for the Bose--Hubbard model  . . . . . . 170--177
              Zackary Falls and   
             David C. Lonie and   
              Patrick Avery and   
               Andrew Shamp and   
                      Eva Zurek   XtalOpt version r9: an open-source
                                  evolutionary algorithm for crystal
                                  structure prediction . . . . . . . . . . 178--179
          Matthew O. Zacate and   
             William E. Evenson   Stochastic hyperfine interactions
                                  modeling library --- Version 2 . . . . . 180--181


Computer Physics Communications
Volume 200, Number ??, March, 2016

                      Anonymous   Editorial Board  . . . . . . . . . . . . ifc--ifc
                    G. Oger and   
         D. Le Touzé and   
                 D. Guibert and   
                M. de Leffe and   
             J. Biddiscombe and   
                J. Soumagne and   
                J.-G. Piccinali   On distributed memory MPI-based
                                  parallelization of SPH codes in massive
                                  HPC context  . . . . . . . . . . . . . . 1--14
            Steven B. Beale and   
               Hae-Won Choi and   
             Jon G. Pharoah and   
             Helmut K. Roth and   
               Hrvoje Jasak and   
                 Dong Hyup Jeon   Open-source computational model of a
                                  solid oxide fuel cell  . . . . . . . . . 15--26
        Christopher Barrett and   
                  Lin-Wang Wang   A systematic fitting procedure for
                                  accurate force field models to reproduce
                                  ab initio phonon spectra of
                                  nanostructures . . . . . . . . . . . . . 27--36
               D. M. Kennes and   
                    C. Karrasch   Extending the range of real time density
                                  matrix renormalization group simulations 37--43
           Lajos Szalmás   A fast iterative discrete velocity
                                  method for ternary gas mixtures flowing
                                  through long tubes . . . . . . . . . . . 44--49
                 Petr Bauer and   
    Vladimír Klement and   
     Tomás Oberhuber and   
         Vítezslav Zabka   Implementation of the Vanka-type
                                  multigrid solver for the finite element
                                  approximation of the Navier--Stokes
                                  equations on GPU . . . . . . . . . . . . 50--56
               Jaewoon Jung and   
          Chigusa Kobayashi and   
          Toshiyuki Imamura and   
                    Yuji Sugita   Parallel implementation of $3$D FFT with
                                  volumetric decomposition schemes for
                                  efficient molecular dynamics simulations 57--65
          Sh. Khorasanizade and   
                 J. M. M. Sousa   A two-dimensional Segmented Boundary
                                  Algorithm for complex moving solid
                                  boundaries in Smoothed Particle
                                  Hydrodynamics  . . . . . . . . . . . . . 66--75
                L. Di Gallo and   
                    C. Reux and   
                 F. Imbeaux and   
               J.-F. Artaud and   
                  M. Owsiak and   
                 B. Saoutic and   
                  G. Aiello and   
                P. Bernardi and   
                 G. Ciraolo and   
               J. Bucalossi and   
            J.-L. Duchateau and   
                 C. Fausser and   
                 D. Galassi and   
                 P. Hertout and   
             J.-C. Jaboulay and   
                 A. Li-Puma and   
                        L. Zani   Coupling between a multi-physics
                                  workflow engine and an optimization
                                  framework  . . . . . . . . . . . . . . . 76--86
                  Wenhui Mi and   
              Xuecheng Shao and   
                Chuanxun Su and   
              Yuanyuan Zhou and   
              Shoutao Zhang and   
                    Quan Li and   
                   Hui Wang and   
                Lijun Zhang and   
              Maosheng Miao and   
               Yanchao Wang and   
                     Yanming Ma   ATLAS: a real-space finite-difference
                                  implementation of orbital-free density
                                  functional theory  . . . . . . . . . . . 87--95
        Phanisri P. Pratapa and   
      Phanish Suryanarayana and   
                   John E. Pask   Spectral Quadrature method for accurate
                                  $ \mathcal {O}(N) $ electronic structure
                                  calculations of metals and insulators    96--107
                   Yibao Li and   
              Hyun Geun Lee and   
                  Binhu Xia and   
                    Junseok Kim   A compact fourth-order finite difference
                                  scheme for the three-dimensional
                                  Cahn--Hilliard equation  . . . . . . . . 108--116
                H. P. Bhatt and   
                A. Q. M. Khaliq   Fourth-order compact schemes for the
                                  numerical simulation of coupled Burgers'
                                  equation . . . . . . . . . . . . . . . . 117--138
                      Zi He and   
                   Ru-Shan Chen   Fast analysis of wide-band scattering
                                  from electrically large targets with
                                  time-domain parabolic equation method    139--146
                H. Vincenti and   
                      J.-L. Vay   Detailed analysis of the effects of
                                  stencil spatial variations with
                                  arbitrary high-order finite-difference
                                  Maxwell solver . . . . . . . . . . . . . 147--167
          Marian Kupczynski and   
                  Hans De Raedt   Breakdown of statistical inference from
                                  some random experiments  . . . . . . . . 168--175
                 Yu-Xuan He and   
                   Liang Li and   
    Stéphane Lanteri and   
                 Ting-Zhu Huang   Optimized Schwarz algorithms for solving
                                  time-harmonic Maxwell's equations
                                  discretized by a hybridizable
                                  discontinuous Galerkin method  . . . . . 176--181
                   Maxime Lesur   Method- and scheme-independent entropy
                                  production in turbulent kinetic
                                  simulations  . . . . . . . . . . . . . . 182--189
                 Marco Sant and   
            Andrea Gabrieli and   
        Pierfranco Demontis and   
          Giuseppe B. Suffritti   InfiniCharges: a tool for generating
                                  partial charges via the simultaneous fit
                                  of multiframe electrostatic potential
                                  (ESP) and total dipole fluctuations
                                  (TDF)  . . . . . . . . . . . . . . . . . 190--198
                P. Descouvemont   An $R$-matrix package for
                                  coupled-channel problems in nuclear
                                  physics  . . . . . . . . . . . . . . . . 199--219
                T. A. Welsh and   
                     D. J. Rowe   A computer code for calculations in the
                                  algebraic collective model of the atomic
                                  nucleus  . . . . . . . . . . . . . . . . 220--253
                  Bernd A. Berg   Least square fitting with one explicit
                                  parameter less . . . . . . . . . . . . . 254--258
              S. Edvardsson and   
                K. Karlsson and   
                        H. Olin   corr3p\_tr: a particle approach for the
                                  general three-body problem . . . . . . . 259--273
              Priyanka Seth and   
              Igor Krivenko and   
             Michel Ferrero and   
              Olivier Parcollet   TRIQS/CTHYB: a continuous-time quantum
                                  Monte Carlo hybridisation expansion
                                  solver for quantum impurity problems . . 274--284
                     C. Carasco   COuntLOss in NEutron multiplicity
                                  assessment (COLONEMA)  . . . . . . . . . 285--290
                   S. Bn\`a and   
              S. Manservisi and   
             R. Scardovelli and   
                   P. Yecko and   
                     S. Zaleski   Vofi --- A library to initialize the
                                  volume fraction scalar field . . . . . . 291--299
               Felix Gremse and   
        Andreas Höfter and   
                Lukas Razik and   
           Fabian Kiessling and   
                    Uwe Naumann   GPU-accelerated adjoint algorithmic
                                  differentiation  . . . . . . . . . . . . 300--311
              G. Ciaramella and   
                    A. Borz\`\i   A LONE code for the sparse control of
                                  quantum systems  . . . . . . . . . . . . 312--323
            Philipp Neumann and   
                Hanno Flohr and   
                Rahul Arora and   
               Piet Jarmatz and   
             Nikola Tchipev and   
          Hans-Joachim Bungartz   MaMiCo: Software design for parallel
                                  molecular-continuum flow simulations . . 324--335
          Vincent Bonnivard and   
         Moritz Hütten and   
             Emmanuel Nezri and   
   Aldée Charbonnier and   
       Céline Combet and   
                   David Maurin   CLUMPY: Jeans analysis, $ \gamma $-ray
                                  and $ \nu $ fluxes from dark matter
                                  (sub-)structures . . . . . . . . . . . . 336--349
                 D. Regnier and   
              M. Verri\`ere and   
                  N. Dubray and   
                     N. Schunck   FELIX-1.0: a finite element solver for
                                  the time dependent generator coordinate
                                  method with the Gaussian overlap
                                  approximation  . . . . . . . . . . . . . 350--363
              Cory M. Simon and   
                Berend Smit and   
               Maciej Haranczyk   pyIAST: Ideal adsorbed solution theory
                                  (IAST) Python package  . . . . . . . . . 364--380
          Hongliang Lü and   
            Anthony Marchix and   
               Yasuhisa Abe and   
                  David Boilley   KEWPIE2: a cascade code for the study of
                                  dynamical decay of excited nuclei  . . . 381--399
            Yukihiro Komura and   
                   Yutaka Okabe   Improved CUDA programs for GPU computing
                                  of Swendsen--Wang multi-cluster spin
                                  flip algorithm: $2$D and $3$D Ising,
                                  Potts, and XY models . . . . . . . . . . 400--401
              M. S. Guskova and   
              L. Yu. Barash and   
                   L. N. Shchur   RNGAVXLIB: Program library for random
                                  number generation, AVX realization . . . 402--405
            Vladimir Loncar and   
                Antun Balaz and   
     Aleksandar Bogojevi\'c and   
            Srdjan Skrbi\'c and   
      Paulsamy Muruganandam and   
             Sadhan K. Adhikari   CUDA programs for solving the
                                  time-dependent dipolar Gross--Pitaevskii
                                  equation in an anisotropic trap  . . . . 406--410
           Bogdan Satari\'c and   
         Vladimir Slavni\'c and   
         Aleksandar Beli\'c and   
                Antun Balaz and   
      Paulsamy Muruganandam and   
             Sadhan K. Adhikari   Hybrid OpenMP/MPI programs for solving
                                  the time-dependent Gross--Pitaevskii
                                  equation in a fully anisotropic trap . . 411--417


Computer Physics Communications
Volume 201, Number ??, April, 2016

                      Anonymous   Editorial Board  . . . . . . . . . . . . ifc--ifc
               Jacopo Corno and   
             Carlo de Falco and   
         Herbert De Gersemo and   
          Sebastian Schöps   Isogeometric simulation of Lorentz
                                  detuning in superconducting accelerator
                                  cavities . . . . . . . . . . . . . . . . 1--7
         Nikolas S. Burkoff and   
       Robert J. N. Baldock and   
       Csilla Várnai and   
              David L. Wild and   
     Gábor Csányi   Exploiting molecular dynamics in Nested
                                  Sampling simulations of small peptides   8--18
                 D. Regnier and   
                 O. Litaize and   
                       O. Serot   An improved numerical method to compute
                                  neutron/gamma deexcitation cascades
                                  starting from a high spin state  . . . . 19--28
                  B. F. L. Ward   IR-improved DGLAP-CS QCD parton showers
                                  in Pythia8 . . . . . . . . . . . . . . . 29--32
               Jinliang Yan and   
                   Zhiyue Zhang   New energy-preserving schemes using
                                  Hamiltonian Boundary Value and Fourier
                                  pseudospectral methods for the numerical
                                  solution of the ``good'' Boussinesq
                                  equation . . . . . . . . . . . . . . . . 33--42
                Xiaoyang Xu and   
                 Xiao-Long Deng   An improved weakly compressible SPH
                                  method for simulating free surface flows
                                  of viscous and viscoelastic fluids . . . 43--62
               Chi-Ti Hsieh and   
             Tung-Han Hsieh and   
                  Shu-Wei Chang   Improving accuracy using subpixel
                                  smoothing for multiband effective-mass
                                  Hamiltonians of semiconductor
                                  nanostructures . . . . . . . . . . . . . 63--76
                 Xuesong Li and   
            William F. Northrop   A Markov Chain-based quantitative study
                                  of angular distribution of photons
                                  through turbid slabs via isotropic light
                                  scattering . . . . . . . . . . . . . . . 77--84
             T. V. Laptyeva and   
              E. A. Kozinov and   
              I. B. Meyerov and   
           M. V. Ivanchenko and   
              S. V. Denisov and   
                 P. Hänggi   Calculating Floquet states of large
                                  quantum systems: a parallelization
                                  strategy and its cluster implementation  85--94
           Perri J. Needham and   
             Ashraf Bhuiyan and   
                 Ross C. Walker   Extension of the AMBER molecular
                                  dynamics software to Intel's Many
                                  Integrated Core (MIC) architecture . . . 95--105
             Casey N. Brock and   
         Brandon C. Paikoff and   
      Muhammad I. Md Sallih and   
            Alan R. Tackett and   
                 D. Greg Walker   Force-based optimization of
                                  pseudopotentials for non-equilibrium
                                  configurations . . . . . . . . . . . . . 106--118
          Christian Vorwerk and   
            Caterina Cocchi and   
                  Claudia Draxl   LayerOptics: Microscopic modeling of
                                  optical coefficients in layered
                                  materials  . . . . . . . . . . . . . . . 119--125
             Daniele Linaro and   
                  Marco Storace   \sc BAL: a library for the brute-force
                                  analysis of dynamical systems  . . . . . 126--134
  Kristian Ejlebjerg Jensen and   
                  Gerard Gorman   Details of tetrahedral anisotropic mesh
                                  adaptation . . . . . . . . . . . . . . . 135--143
                  Janusz Rosiek   MassToMI --- A Mathematica package for
                                  an automatic Mass Insertion expansion    144--158
             Michal Walczak and   
         Helmut Grubmüller   BASDet: Bayesian approach(es) for
                                  structure determination from single
                                  molecule X-ray diffraction images  . . . 159--166
                     A. Semenov   LanHEP --- A package for automatic
                                  generation of Feynman rules from the
                                  Lagrangian. Version 3.2  . . . . . . . . 167--170
                  Frank Tabakin   QDENSITY/QCWAVE: a Mathematica quantum
                                  computer simulation update . . . . . . . 171--172


Computer Physics Communications
Volume 202, Number ??, May, 2016

                      Anonymous   Editorial Board  . . . . . . . . . . . . ifc--ifc
                 E. Assmann and   
                P. Wissgott and   
                   J. Kunes and   
                  A. Toschi and   
                   P. Blaha and   
                        K. Held   \tt woptic: Optical conductivity with
                                  Wannier functions and adaptive $k$-mesh
                                  refinement . . . . . . . . . . . . . . . 1--11
         Bartosz D. Wozniak and   
       Freddie D. Witherden and   
         Francis P. Russell and   
           Peter E. Vincent and   
               Paul H. J. Kelly   GiMMiK ---- Generating bespoke matrix
                                  multiplication kernels for accelerators:
                                  Application to high-order Computational
                                  Fluid Dynamics . . . . . . . . . . . . . 12--22
      Christopher D. Cooper and   
                Lorena A. Barba   Poisson--Boltzmann model for
                                  protein-surface electrostatic
                                  interactions and grid-convergence study
                                  using the PyGBe code . . . . . . . . . . 23--32
                J. Ablinger and   
                 A. Behring and   
           J. Blümlein and   
              A. De Freitas and   
          A. von Manteuffel and   
                   C. Schneider   Calculating three loop ladder and
                                  $V$-topologies for massive operator
                                  matrix elements by computer algebra  . . 33--112
              Florian Staub and   
               Peter Athron and   
           Ulrich Ellwanger and   
         Ramona Gröber and   
 Margarete Mühlleitner and   
             Pietro Slavich and   
                Alexander Voigt   Higgs mass predictions of public NMSSM
                                  spectrum generators  . . . . . . . . . . 113--130
         Ricardo B. Canelas and   
     Alejandro J. C. Crespo and   
   Jose M. Domínguez and   
         Rui M. L. Ferreira and   
   Moncho Gómez-Gesteira   SPH-DCDEM model for arbitrary geometries
                                  in free surface solid-fluid flows  . . . 131--140
              John R. Tramm and   
             Geoffrey Gunow and   
                     Tim He and   
              Kord S. Smith and   
              Benoit Forget and   
               Andrew R. Siegel   A task-based parallelism and vectorized
                                  approach to $3$D Method of
                                  Characteristics (MOC) reactor simulation
                                  for high performance computing
                                  architectures  . . . . . . . . . . . . . 141--150
             Toru Takahashi and   
                Yuta Shimba and   
            Hiroshi Isakari and   
              Toshiro Matsumoto   An efficient blocking M2L translation
                                  for low-frequency fast multipole method
                                  in three dimensions  . . . . . . . . . . 151--164
                Phuc T. Luu and   
         T. Tückmantel and   
                      A. Pukhov   Voronoi particle merging algorithm for
                                  PIC codes  . . . . . . . . . . . . . . . 165--174
        Ondrej Pártl and   
               Michal Benes and   
            Peter Frolkovic and   
        Tissa Illangasekare and   
                 Kathleen Smits   Numerical modeling of non-isothermal gas
                                  flow and NAPL vapor transport in soil    175--187
             Chung-Yuan Ren and   
            Yia-Chung Chang and   
               Chen-Shiung Hsue   A mixed basis density functional
                                  approach for one-dimensional systems
                                  with B-splines . . . . . . . . . . . . . 188--195
             Michael Wagner and   
                 Uwe Hampel and   
               Martina Bieberle   Correct averaging in transmission
                                  radiography: Analysis of the inverse
                                  problem  . . . . . . . . . . . . . . . . 196--203
               I. A. Surmin and   
            S. I. Bastrakov and   
             E. S. Efimenko and   
             A. A. Gonoskov and   
          A. V. Korzhimanov and   
                  I. B. Meyerov   Particle-in-Cell laser--plasma
                                  simulation on Xeon Phi coprocessors  . . 204--210
              Ivan Gonoskov and   
               Mattias Marklund   Single-step propagators for calculation
                                  of time evolution in quantum systems
                                  with arbitrary interactions  . . . . . . 211--215
        Zelimir Marojevi\'c and   
      Ertan Göklü and   
          Claus Lämmerzahl   ATUS--PRO: a FEM-based solver for the
                                  time-dependent and stationary
                                  Gross--Pitaevskii equation . . . . . . . 216--232
        Pedro Duarte Santos and   
                    Andrea Lani   An object-oriented implementation of a
                                  parallel Monte Carlo code for radiation
                                  transport  . . . . . . . . . . . . . . . 233--261
        Sergei N. Yurchenko and   
               Lorenzo Lodi and   
          Jonathan Tennyson and   
            Andrey V. Stolyarov   Duo: a general program for calculating
                                  spectra of diatomic molecules  . . . . . 262--275
 Björn C. P. Sturmberg and   
            Kokou B. Dossou and   
          Felix J. Lawrence and   
     Christopher G. Poulton and   
          Ross C. McPhedran and   
       C. Martijn de Sterke and   
              Lindsay C. Botten   EMUstack: an open source route to
                                  insightful electromagnetic computation
                                  via the Bloch mode scattering matrix
                                  method . . . . . . . . . . . . . . . . . 276--286
            Oleg Zatsarinny and   
       Charlotte Froese Fischer   DBSR\_HF: a B-spline
                                  Dirac--Hartree--Fock program . . . . . . 287--303
        Matteo T. Degiacomi and   
         Valentina Erastova and   
                 Mark R. Wilson   Easy creation of polymeric systems for
                                  molecular dynamics with Assemble!  . . . 304--309
               Helmut Eberl and   
             Vassilis C. Spanos   GravitinoPack and decays of
                                  supersymmetric metastable particles  . . 310--325
                Lukas Einkemmer   High performance computing aspects of a
                                  dimension independent semi-Lagrangian
                                  discontinuous Galerkin code  . . . . . . 326--336
              Endre Somogyi and   
         Andrew Abi Mansour and   
              Peter J. Ortoleva   ProtoMD: a prototyping toolkit for
                                  multiscale molecular dynamics  . . . . . 337--350
                   Rob Verheyen   RGIsearch: a C++ program for the
                                  determination of renormalization group
                                  invariants . . . . . . . . . . . . . . . 351--355


Computer Physics Communications
Volume 203, Number ??, June, 2016

                      Anonymous   Editorial Board  . . . . . . . . . . . . ifc--ifc
                Nigel Cundy and   
                   Weonjong Lee   The eigSUMR inverter for overlap
                                  fermions . . . . . . . . . . . . . . . . 1--17
            Aviad Roitgrund and   
                  Gad Eilam and   
             Shaouly Bar-Shalom   Implementation of the manifest
                                  left-right symmetric model in FeynRules  18--44
          Michael P. Howard and   
         Joshua A. Anderson and   
         Arash Nikoubashman and   
          Sharon C. Glotzer and   
 Athanassios Z. Panagiotopoulos   Efficient neighbor list calculation for
                                  molecular simulation of colloidal
                                  systems using graphics processing units  45--52
           Mikael Mortensen and   
         Hans Petter Langtangen   High performance Python for direct
                                  numerical simulations of turbulent flows 53--65
           Rémi Lehe and   
             Manuel Kirchen and   
          Igor A. Andriyash and   
         Brendan B. Godfrey and   
                   Jean-Luc Vay   A spectral, quasi-cylindrical and
                                  dispersion-free Particle-In-Cell
                                  algorithm  . . . . . . . . . . . . . . . 66--82
             Yannick Gillet and   
         Matteo Giantomassi and   
                   Xavier Gonze   Efficient on-the-fly interpolation
                                  technique for Bethe--Salpeter
                                  calculations of optical spectra  . . . . 83--93
                C. D. Sijoy and   
                  S. Chaturvedi   Combining node-centered parallel
                                  radiation transport and higher-order
                                  multi-material cell-centered
                                  hydrodynamics methods in
                                  three-temperature radiation
                                  hydrodynamics code TRHD  . . . . . . . . 94--109
                  In-Ho Lee and   
               Young Jun Oh and   
               Sunghyun Kim and   
               Jooyoung Lee and   
                    K. J. Chang   Ab initio materials design using
                                  conformational space annealing and its
                                  application to searching for direct band
                                  gap silicon crystals . . . . . . . . . . 110--121
                       Ji Qiang   Efficient three-dimensional Poisson
                                  solvers in open rectangular conducting
                                  pipe . . . . . . . . . . . . . . . . . . 122--127
                 T. Korpilo and   
            A. D. Gurchenko and   
              E. Z. Gusakov and   
            J. A. Heikkinen and   
             S. J. Janhunen and   
            T. P. Kiviniemi and   
                 S. Leerink and   
                 P. Niskala and   
                A. A. Perevalov   Gyrokinetic full-torus simulations of
                                  ohmic tokamak plasmas in circular
                                  limiter configuration  . . . . . . . . . 128--137
              George Rawitscher   Tunneling through a barrier with the
                                  phase-amplitude method . . . . . . . . . 138--146
                 A. W. Bray and   
        I. B. Abdurakhmanov and   
              A. S. Kadyrov and   
                D. V. Fursa and   
                        I. Bray   Solving close-coupling equations in
                                  momentum space without singularities II  147--151
                Keiichi Ito and   
               Ivo Couckuyt and   
               Silvia Poles and   
                     Tom Dhaene   Variance-based interaction index
                                  measuring heteroscedasticity . . . . . . 152--161
            T. P. Kiviniemi and   
                   U. Sauerwein   The effects of spatial sampling on
                                  random noise for gyrokinetic PIC
                                  simulations in real space  . . . . . . . 162--167
               Qing-Xiao Li and   
              Rong-Qiang He and   
                    Zhong-Yi Lu   Accelerating optimization by tracing
                                  valley . . . . . . . . . . . . . . . . . 168--177
               Nuno Cardoso and   
       David Emmanuel-Costa and   
      Nuno Gonçalves and   
               C. Simões   SOSpin, a C++ library for Yukawa
                                  decomposition in $ {\rm SO}(2 N) $
                                  models . . . . . . . . . . . . . . . . . 178--200
       Jackelyn A. Martinez and   
    Aleksandr Chernatynskiy and   
           Dundar E. Yilmaz and   
                  Tao Liang and   
           Susan B. Sinnott and   
              Simon R. Phillpot   Potential Optimization Software for
                                  Materials (POSMat) . . . . . . . . . . . 201--211
              Connie W. Gao and   
            Joshua W. Allen and   
           William H. Green and   
                Richard H. West   Reaction Mechanism Generator: Automatic
                                  construction of chemical kinetic
                                  mechanisms . . . . . . . . . . . . . . . 212--225
                   R. Ramis and   
              J. Meyer-ter-Vehn   MULTI--IFE --- a one-dimensional
                                  computer code for Inertial Fusion Energy
                                  (IFE) target simulations . . . . . . . . 226--237
               Shuyuan Xiao and   
                   Xueli Mu and   
               Tingting Liu and   
                      Hong Chen   A Mathematica program for the
                                  calculation of five-body Moshinsky
                                  brackets . . . . . . . . . . . . . . . . 238--244
         Guillaume Ducrozet and   
   Félicien Bonnefoy and   
      David Le Touzé and   
                 Pierre Ferrant   HOS-ocean: Open-source solver for
                                  nonlinear waves in open ocean based on
                                  High-Order Spectral method . . . . . . . 245--254
               Roman N. Lee and   
             Kirill T. Mingulov   Introducing SummerTime: a package for
                                  high-precision computation of sums
                                  appearing in DRA $^1$ method . . . . . . 255--267
                   M. Rabie and   
                   C. M. Franck   METHES: a Monte Carlo collision code for
                                  the simulation of electron transport in
                                  low temperature plasmas  . . . . . . . . 268--277
                V. Vuorinen and   
                    K. Keskinen   DNSLab: a gateway to turbulent flow
                                  simulation in Matlab . . . . . . . . . . 278--289
               Marat Sibaev and   
          Deborah L. Crittenden   PyVCI: a flexible open-source code for
                                  calculating accurate molecular infrared
                                  spectra  . . . . . . . . . . . . . . . . 290--297
            Maarten Hornikx and   
             Thomas Krijnen and   
               Louis van Harten   openPSTD: the open source pseudospectral
                                  time-domain method for acoustic
                                  propagation  . . . . . . . . . . . . . . 298--308
                 B. Thierry and   
                    A. Vion and   
                S. Tournier and   
             M. El Bouajaji and   
                D. Colignon and   
                  N. Marsic and   
                 X. Antoine and   
                    C. Geuzaine   GetDDM: an open framework for testing
                                  optimized Schwarz methods for
                                  time-harmonic wave problems  . . . . . . 309--330
                 Junqing Xu and   
         Calogero R. Natoli and   
          Peter Krüger and   
            Kuniko Hayakawa and   
    Didier Sébilleau and   
                    Li Song and   
                 Keisuke Hatada   ES2MS: an interface package for passing
                                  self-consistent charge density and
                                  potential from Electronic Structure
                                  codes To Multiple Scattering codes . . . 331--338
               Christian Bogner   MPL --- a program for computations with
                                  iterated integrals on moduli spaces of
                                  curves of genus zero . . . . . . . . . . 339--353
                Andrew Ian Duff   MEAMfit: a reference-free modified
                                  embedded atom method (RF-MEAM) energy
                                  and force-fitting code . . . . . . . . . 354--355


Computer Physics Communications
Volume 204, Number ??, July, 2016

                      Anonymous   Editorial Board  . . . . . . . . . . . . ifc--ifc
                 Shingo Ito and   
               Stephan Irle and   
                   Yuko Okamoto   Implementation of replica-exchange
                                  umbrella sampling in the DFTB+
                                  semiempirical quantum chemistry package  1--10
       Bernadett Ács and   
Gábor Szederkényi and   
                 Zsolt Tuza and   
          Zoltán A. Tuza   Computing all possible graph structures
                                  describing linearly conjugate
                                  realizations of kinetic systems  . . . . 11--20
         Joshua A. Anderson and   
            M. Eric Irrgang and   
              Sharon C. Glotzer   Scalable Metropolis Monte Carlo for
                                  simulation of hard shapes  . . . . . . . 21--30
Zoltán Erdélyi and   
           Mykola Pasichnyy and   
       Volodymyr Bezpalchuk and   
János J. Tomán and   
              Bence Gajdics and   
                Andriy M. Gusak   Stochastic kinetic mean field model  . . 31--37
                 Jingbo Qin and   
                Quanlin Jie and   
                       Zhuo Fan   Implementing the density matrix
                                  embedding theory with the hierarchical
                                  mean-field approach  . . . . . . . . . . 38--42
    Magdalena Schreilechner and   
               Walter Pötz   Real-space finite difference scheme for
                                  the von Neumann equation with the Dirac
                                  Hamiltonian  . . . . . . . . . . . . . . 43--54
Miguel Cárdenas-Montes and   
Juan José Rodríguez-Vázquez and   
Miguel A. Vega-Rodríguez   Bin recycling strategy for improving the
                                  histogram precision on GPU . . . . . . . 55--63
                C. Teijeiro and   
           T. Hammerschmidt and   
                  R. Drautz and   
                     G. Sutmann   Efficient parallelization of analytic
                                  bond-order potentials for large-scale
                                  atomistic simulations  . . . . . . . . . 64--73
                   Tao Zhao and   
             Feng-Nan Hwang and   
                 Xiao-Chuan Cai   Parallel two-level domain decomposition
                                  based Jacobi--Davidson algorithms for
                                  pyramidal quantum dot simulation . . . . 74--81
                   Wenlong Wang   Simulating thermal boundary conditions
                                  of spin-lattice models with weighted
                                  averages . . . . . . . . . . . . . . . . 82--87
                    B. Militzer   Computation of the high temperature
                                  Coulomb density matrix in periodic
                                  boundary conditions  . . . . . . . . . . 88--96
                    David Salac   A general, mass-preserving
                                  Navier--Stokes projection method . . . . 97--106
              F. Bülow and   
               P. Hamberger and   
                 H. Nirschl and   
                W. Dörfler   A scalable parallel Stokesian Dynamics
                                  method for the simulation of colloidal
                                  suspensions  . . . . . . . . . . . . . . 107--120
          V. N. Pomerantsev and   
              V. I. Kukulin and   
             O. A. Rubtsova and   
                  S. K. Sakhiev   Fast GPU-based calculations in few-body
                                  quantum scattering . . . . . . . . . . . 121--131
                 Peng Zhang and   
                   Na Zhang and   
                   Chao Gao and   
                   Li Zhang and   
                Yuxiang Gao and   
                Yuefan Deng and   
                Danny Bluestein   Scalability test of multiscale
                                  fluid--platelet model for three top
                                  supercomputers . . . . . . . . . . . . . 132--140
                  M. Vranic and   
              J. L. Martins and   
              R. A. Fonseca and   
                    L. O. Silva   Classical radiation reaction in
                                  particle-in-cell simulations . . . . . . 141--151
                Jaewook Kim and   
               M. F. J. Fox and   
                A. R. Field and   
                  Y. U. Nam and   
                     Y.-C. Ghim   Conditions for generating synthetic data
                                  to investigate characteristics of
                                  fluctuating quantities . . . . . . . . . 152--158
                  S. Meylan and   
                  U. Vimont and   
                 S. Incerti and   
                I. Clairand and   
                  C. Villagrasa   Geant4-DNA simulations using complex DNA
                                  geometries generated by the DnaFabric
                                  tool . . . . . . . . . . . . . . . . . . 159--169
                   Tao Zeng and   
            Nicholas Blinov and   
    Grégoire Guillon and   
                     Hui Li and   
            Kevin P. Bishop and   
            Pierre-Nicholas Roy   MoRiBS-PIMC: a program to simulate
                                  molecular rotors in bosonic solvents
                                  using path-integral Monte Carlo  . . . . 170--188
                  A. V. Smirnov   FIESTA4: Optimized Feynman integral
                                  calculations with GPU support  . . . . . 189--199
            Markus Aichhorn and   
          Leonid Pourovskii and   
              Priyanka Seth and   
         Veronica Vildosola and   
               Manuel Zingl and   
               Oleg E. Peil and   
                Xiaoyu Deng and   
             Jernej Mravlje and   
        Gernot J. Kraberger and   
              Cyril Martins and   
             Michel Ferrero and   
              Olivier Parcollet   TRIQS/DFTTools: a TRIQS application for
                                  ab initio calculations of correlated
                                  materials  . . . . . . . . . . . . . . . 200--208
           Luis E. Young-S. and   
         Dusan Vudragovi\'c and   
      Paulsamy Muruganandam and   
         Sadhan K. Adhikari and   
                    Antun Balaz   OpenMP Fortran and C programs for
                                  solving the time-dependent
                                  Gross--Pitaevskii equation in an
                                  anisotropic trap . . . . . . . . . . . . 209--213
                 Kebo Zhang and   
              Hailing Xiong and   
                        Chao Li   A new version of code Java for $3$D
                                  simulation of the CCA model  . . . . . . 214--215
                Jakub Benda and   
                   Karel Houfek   New version of hex-ecs, the B-spline
                                  implementation of exterior complex
                                  scaling method for solution of
                                  electron--hydrogen scattering  . . . . . 216--217


Computer Physics Communications
Volume 205, Number ??, August, 2016

                      Anonymous   Editorial Board  . . . . . . . . . . . . ifc--ifc
                   Yue Wang and   
               Jianguo Wang and   
                Zaigao Chen and   
               Guoxin Cheng and   
                       Pan Wang   Three-dimensional simple conformal
                                  symplectic particle-in-cell methods for
                                  simulations of high power microwave
                                  devices  . . . . . . . . . . . . . . . . 1--12
                   E. Maras and   
                 O. Trushin and   
               A. Stukowski and   
             T. Ala-Nissila and   
              H. Jónsson   Global transition path search for
                                  dislocation formation in Ge on Si(001)   13--21
                  Peng Wang and   
                     Zhaoli Guo   A semi-implicit gas-kinetic scheme for
                                  smooth flows . . . . . . . . . . . . . . 22--31
                Ioan Hadade and   
                   Luca di Mare   Modern multicore and manycore
                                  architectures: Modelling, optimisation
                                  and benchmarking a multiblock CFD code   32--47
Cristóbal A. Navarro and   
                  Wei Huang and   
                    Youjin Deng   Adaptive multi-GPU Exchange Monte Carlo
                                  for the $3$D Random Field Ising Model    48--60
              Bernie D. Shizgal   An efficient nonclassical quadrature for
                                  the calculation of nonresonant nuclear
                                  fusion reaction rate coefficients from
                                  cross section data . . . . . . . . . . . 61--68
          Ubaid Ahmed Nisar and   
               Waqas Ashraf and   
                  Shamsul Qamar   A splitting scheme based on the
                                  space--time CE/SE method for solving
                                  multi-dimensional hydrodynamical models
                                  of semiconductor devices . . . . . . . . 69--86
                Jinlian Ren and   
                  Tao Jiang and   
                 Weigang Lu and   
                        Gang Li   An improved parallel SPH approach to
                                  solve $3$D transient generalized
                                  Newtonian free surface flows . . . . . . 87--105
                   X. Gonze and   
                  F. Jollet and   
            F. Abreu Araujo and   
                   D. Adams and   
                  B. Amadon and   
             T. Applencourt and   
                 C. Audouze and   
               J.-M. Beuken and   
                  J. Bieder and   
              A. Bokhanchuk and   
                E. Bousquet and   
                F. Bruneval and   
                 D. Caliste and   
       M. Côté and   
                    F. Dahm and   
                F. Da Pieve and   
                M. Delaveau and   
              M. Di Gennaro and   
                  B. Dorado and   
                  C. Espejo and   
                 G. Geneste and   
                L. Genovese and   
               A. Gerossier and   
             M. Giantomassi and   
                  Y. Gillet and   
               D. R. Hamann and   
                      L. He and   
                  G. Jomard and   
        J. Laflamme Janssen and   
                 S. Le Roux and   
                  A. Levitt and   
                A. Lherbier and   
                     F. Liu and   
           I. Luka\vcevi\'c and   
                  A. Martin and   
                 C. Martins and   
          M. J. T. Oliveira and   
            S. Poncé and   
                Y. Pouillon and   
                  T. Rangel and   
            G.-M. Rignanese and   
               A. H. Romero and   
                B. Rousseau and   
                   O. Rubel and   
               A. A. Shukri and   
              M. Stankovski and   
                 M. Torrent and   
           M. J. Van Setten and   
              B. Van Troeye and   
               M. J. Verstraete   Recent developments in the ABINIT
                                  software package . . . . . . . . . . . . 106--131
           Isabelle Charpentier   Optimized higher-order automatic
                                  differentiation for the Faddeeva
                                  function . . . . . . . . . . . . . . . . 132--137


Computer Physics Communications
Volume 206, Number ??, September, 2016

                      Anonymous   Editorial Board  . . . . . . . . . . . . ifc--ifc
                    N. S. Scott   Editorial  . . . . . . . . . . . . . . . 1
                 Ayham Zaza and   
          Abeeb A. Awotunde and   
           Faisal A. Fairag and   
           Mayez A. Al-Mouhamed   A CUDA based parallel multi-phase oil
                                  reservoir simulator  . . . . . . . . . . 2--16
                   A. Bolis and   
             C. D. Cantwell and   
                   D. Moxey and   
                  D. Serson and   
                  S. J. Sherwin   An adaptable parallel algorithm for the
                                  direct numerical simulation of
                                  incompressible turbulent flows using a
                                  Fourier spectral/hp element method and
                                  MPI virtual topologies . . . . . . . . . 17--25
            Animesh Agarwal and   
               Luigi Delle Site   Grand-Canonical Adaptive Resolution
                                  Centroid Molecular Dynamics:
                                  Implementation and application . . . . . 26--34
                 Anbang Sun and   
           Markus M. Becker and   
               Detlef Loffhagen   PIC/MCC simulation of capacitively
                                  coupled discharges: Effect of particle
                                  management and integration . . . . . . . 35--44
             N. F. Loureiro and   
                 W. Dorland and   
              L. Fazendeiro and   
                 A. Kanekar and   
                  A. Mallet and   
              M. S. Vilelas and   
                       A. Zocco   Viriato: a Fourier--Hermite spectral
                                  code for strongly magnetized
                                  fluid--kinetic plasma dynamics . . . . . 45--63
Ilkka Kylänpää and   
          Esa Räsänen   Extended Ewald summation technique . . . 64--68
                Lukas Einkemmer   A resistive magnetohydrodynamics solver
                                  using modern C++ and the Boost library   69--77
          Vladimir V. Bytev and   
                Bernd A. Kniehl   HYPERDIRE --- HYPERgeometric functions
                                  DIfferential REduction:
                                  Mathematica-based packages for the
                                  differential reduction of generalized
                                  hypergeometric functions: Lauricella
                                  function $ F_c $ of three variables  . . 78--83
            Bernd A. Kniehl and   
         Andrey F. Pikelner and   
                Oleg L. Veretin   mr: a C++ library for the matching and
                                  running of the Standard Model parameters 84--96
             I. I. Gontchar and   
             M. V. Chushnyakova   DFMSPH14: a C-code for the double
                                  folding interaction potential of two
                                  spherical nuclei . . . . . . . . . . . . 97--102


Computer Physics Communications
Volume 207, Number ??, October, 2016

                      Anonymous   Editorial Board  . . . . . . . . . . . . ifc--ifc
         Achim Guckenberger and   
          Marcel P. Schraml and   
               Paul G. Chen and   
              Marc Leonetti and   
                  Stephan Gekle   On the bending algorithms for soft
                                  objects in flows . . . . . . . . . . . . 1--23
            Adam J. Sierakowski   GPU-centric resolved-particle disperse
                                  two-phase flow simulation using the
                                  Physalis method  . . . . . . . . . . . . 24--34
             V. Grandgirard and   
               J. Abiteboul and   
                   J. Bigot and   
         T. Cartier-Michaud and   
             N. Crouseilles and   
           G. Dif-Pradalier and   
              Ch. Ehrlacher and   
                  D. Esteve and   
                  X. Garbet and   
               Ph. Ghendrih and   
                    G. Latu and   
            M. Mehrenberger and   
                C. Norscini and   
               Ch. Passeron and   
                   F. Rozar and   
                 Y. Sarazin and   
      E. Sonnendrücker and   
               A. Strugarek and   
                     D. Zarzoso   A $5$D gyrokinetic full-$f$ global
                                  semi-Lagrangian code for flux-driven ion
                                  turbulence simulations . . . . . . . . . 35--68
                  F. Hariri and   
                 T. M. Tran and   
                 A. Jocksch and   
                   E. Lanti and   
                 J. Progsch and   
                 P. Messmer and   
                 S. Brunner and   
                 C. Gheller and   
                     L. Villard   A portable platform for accelerated PIC
                                  codes and its application to GPUs using
                                  OpenACC  . . . . . . . . . . . . . . . . 69--82
           Andreas Adelmann and   
               Uldis Locans and   
                  Andreas Suter   The Dynamic Kernel Scheduler --- Part 1  83--90
               Hidekatsu Nemura   Instructive discussion of an effective
                                  block algorithm for baryon--baryon
                                  correlators  . . . . . . . . . . . . . . 91--104
             Baruch Feldman and   
                    Yunkai Zhou   A partitioned shift-without-invert
                                  algorithm to improve parallel
                                  eigensolution efficiency in real-space
                                  electronic transport . . . . . . . . . . 105--113
                Xisheng Luo and   
                Luying Wang and   
                    Wei Ran and   
                    Fenghua Qin   GPU accelerated cell-based adaptive mesh
                                  refinement on unstructured quadrilateral
                                  grid . . . . . . . . . . . . . . . . . . 114--122
                C.-K. Huang and   
                    Y. Zeng and   
                    Y. Wang and   
               M. D. Meyers and   
                      S. Yi and   
                 B. J. Albright   Finite grid instability and spectral
                                  fidelity of the electrostatic
                                  Particle-In-Cell algorithm . . . . . . . 123--135
                Anant Dixit and   
                     M. Alouani   Ab initio calculations of X-ray magnetic
                                  circular dichroism spectra within the
                                  projector augmented wave method: an
                                  implementation into the VASP code  . . . 136--144
                   E. Lorin and   
                        X. Yang   Frozen Gaussian approximation-based
                                  two-level methods for multi-frequency
                                  Schrödinger equation  . . . . . . . . . . 145--159
                    Daniel Rohe   Hierarchical parallelisation of
                                  functional renormalisation group
                                  calculations --- hp-fRG  . . . . . . . . 160--169
                 T. Jourdan and   
                  G. Stoltz and   
                  F. Legoll and   
                     L. Monasse   An accurate scheme to solve cluster
                                  dynamics equations using a
                                  Fokker--Planck approach  . . . . . . . . 170--178
            M. Yu. Trofimov and   
           A. D. Zakharenko and   
                S. B. Kozitskiy   Mode Gaussian beam tracing . . . . . . . 179--185
                    Shi Qiu and   
                  Kuang Liu and   
              Veronica Eliasson   Parallel implementation of geometrical
                                  shock dynamics for two dimensional
                                  converging shock waves . . . . . . . . . 186--192
              N. Mohankumar and   
                   A. Natarajan   On the very accurate numerical
                                  evaluation of the Generalized
                                  Fermi--Dirac Integrals . . . . . . . . . 193--201
                 T. Dytrych and   
                   P. Maris and   
               K. D. Launey and   
              J. P. Draayer and   
                 J. P. Vary and   
                   D. Langr and   
                   E. Saule and   
               M. A. Caprio and   
              U. Catalyurek and   
                   M. Sosonkina   Efficacy of the SU(3) scheme for ab
                                  initio large-scale calculations beyond
                                  the lightest nuclei  . . . . . . . . . . 202--210
                  Juan Chen and   
                   Jianguo Wang   Three-dimensional dispersive hybrid
                                  implicit-explicit finite-difference
                                  time-domain method for simulations of
                                  graphene . . . . . . . . . . . . . . . . 211--216
          Hiroshi Tsukahara and   
                Kaoru Iwano and   
          Chiharu Mitsumata and   
           Tadashi Ishikawa and   
                      Kanta Ono   Implementation of low communication
                                  frequency $3$D FFT algorithm for
                                  ultra-large-scale micromagnetics
                                  simulation . . . . . . . . . . . . . . . 217--220
           Tsung-Ming Huang and   
                Wen-Wei Lin and   
                  Weichung Wang   A hybrid Jacobi--Davidson method for
                                  interior cluster eigenvalues with large
                                  null-space in three dimensional lossless
                                  Drude dispersive metallic photonic
                                  crystals . . . . . . . . . . . . . . . . 221--231
      Matthew P. Kroonblawd and   
              Nithin Mathew and   
                 Shan Jiang and   
               Thomas D. Sewell   A generalized crystal-cutting method for
                                  modeling arbitrarily oriented crystals
                                  in $3$D periodic simulation cells with
                                  applications to crystal--crystal
                                  interfaces . . . . . . . . . . . . . . . 232--242
         Michele Tuttafesta and   
          Giuseppe Pascazio and   
              Gianpiero Colonna   Multi-GPU unsteady $2$D flow simulation
                                  coupled with a state-to-state chemical
                                  kinetics . . . . . . . . . . . . . . . . 243--257
            Tony W. H. Sheu and   
                Y. W. Chung and   
                   J. H. Li and   
                     Y. C. Wang   Development of an explicit non-staggered
                                  scheme for solving three-dimensional
                                  Maxwell's equations  . . . . . . . . . . 258--273
                    T. Siro and   
                       A. Harju   Exact diagonalization of quantum lattice
                                  models on coprocessors . . . . . . . . . 274--281
              S. V. Kasilov and   
                A. M. Runov and   
                 W. Kernbichler   Geometric integrator for charged
                                  particle orbits in axisymmetric fusion
                                  devices  . . . . . . . . . . . . . . . . 282--286
             Ren-Chuen Chen and   
              Chun-Hsien Li and   
                 Jinn-Liang Liu   A posteriori error control in numerical
                                  simulations of semiconductor nanodevices 287--297
                    Ryan Varley   ExoData: a Python package to handle
                                  large exoplanet catalogue data . . . . . 298--309
          Alireza Khorshidi and   
             Andrew A. Peterson   Amp: a modular approach to machine
                                  learning in atomistic simulations  . . . 310--324
             P. R. L. Alves and   
            L. G. S. Duarte and   
            L. A. C. P. da Mota   Improvement in global forecast for
                                  chaotic time series  . . . . . . . . . . 325--340
                        T. Hahn   Concurrent Cuba  . . . . . . . . . . . . 341--349
                 Pui-Wai Ma and   
              S. L. Dudarev and   
                      C. H. Woo   SPILADY: a parallel CPU and GPU code for
                                  spin-lattice magnetic molecular dynamics
                                  simulations  . . . . . . . . . . . . . . 350--361
            C. H. J. Eckert and   
                  E. Zenker and   
                M. Bussmann and   
                      D. Albach   HASEonGPU --- an adaptive, load-balanced
                                  MPI/GPU-code for calculating the
                                  amplified spontaneous emission in high
                                  power laser media  . . . . . . . . . . . 362--374
                Derek Groen and   
           Agastya P. Bhati and   
                James Suter and   
         James Hetherington and   
           Stefan J. Zasada and   
               Peter V. Coveney   FabSim: Facilitating computational
                                  research through automation on
                                  large-scale and distributed
                                  e-infrastructures  . . . . . . . . . . . 375--385
                     Rolf Kappl   SOLARPROP: Charge-sign dependent solar
                                  modulation for everyone  . . . . . . . . 386--399
          Federico Municchi and   
           Christoph Goniva and   
                    Stefan Radl   Highly efficient spatial data filtering
                                  in parallel using the opensource library
                                  CPPPO  . . . . . . . . . . . . . . . . . 400--414
                    Peter Hakel   FESTR: Finite-Element Spectral Transfer
                                  of Radiation spectroscopic modeling and
                                  analysis code  . . . . . . . . . . . . . 415--425
            Antonino Favata and   
          Andrea Micheletti and   
               Seunghwa Ryu and   
                Nicola M. Pugno   An analytical benchmark and a
                                  Mathematica program for MD codes:
                                  Testing LAMMPS on the 2nd generation
                                  Brenner potential  . . . . . . . . . . . 426--431
      Vladyslav Shtabovenko and   
                Rolf Mertig and   
              Frederik Orellana   New developments in FeynCalc 9.0 . . . . 432--444
              Jan W. Jaeken and   
              Stefaan Cottenier   Solving the Christoffel equation: Phase
                                  and group velocities . . . . . . . . . . 445--451
              Volker Mosert and   
                   Dieter Bauer   Photoelectron spectra with Qprop and
                                  t-SURFF  . . . . . . . . . . . . . . . . 452--463
              Nick A. Eaves and   
               Qingan Zhang and   
               Fengshan Liu and   
              Hongsheng Guo and   
            Seth B. Dworkin and   
              Murray J. Thomson   CoFlame: a refined and validated
                                  numerical algorithm for modeling sooting
                                  laminar coflow diffusion flames  . . . . 464--477
                K. A. S. Croker   ngravs: Distinct gravitational
                                  interactions in \sc GADGET-2 . . . . . . 478--486
          Jakub Checi\'nski and   
               Marek Frankowski   MAGE (M-file/Mif Automatic GEnerator): a
                                  graphical interface tool for automatic
                                  generation of Object Oriented
                                  Micromagnetic Framework configuration
                                  files and Matlab scripts for results
                                  analysis . . . . . . . . . . . . . . . . 487--498
                L. J. Titus and   
                    A. Ross and   
                    F. M. Nunes   Transfer reaction code with nonlocal
                                  interactions . . . . . . . . . . . . . . 499--517
              G. F. Bertsch and   
                 J. M. Mehlhaff   A finite-temperature Hartree--Fock code
                                  for shell-model Hamiltonians . . . . . . 518--523
                    T. Atay and   
                  M. Kaplan and   
                   Y. Kilic and   
                   N. Karapinar   A-Track: a new approach for detection of
                                  moving objects in FITS images  . . . . . 524--530
                    T. Loke and   
                     J. B. Wang   OptQC v1.3: an (updated) optimized
                                  parallel quantum compiler  . . . . . . . 531--532
            David A. Bonhommeau   MCMC$^2$ (version 1.1.2): a Monte Carlo
                                  code for multiply charged clusters . . . 533--535
                Andrzej Daniluk   RHEED intensities from two-dimensional
                                  heteroepitaxial nanoscale systems of GaN
                                  on a Si surface  . . . . . . . . . . . . 536--538
             P. R. L. Alves and   
            L. G. S. Duarte and   
            L. A. C. P. da Mota   A new method for improved global mapping
                                  forecast . . . . . . . . . . . . . . . . 539--541
            L. G. S. Duarte and   
        L. A. C. P. da Mota and   
                       E. Nunez   Finding first order differential
                                  invariants through the $S$-function  . . 542--544
           Boris Tomásik   DRoplet and hAdron generator for nuclear
                                  collisions: an update  . . . . . . . . . 545--546
                 Kebo Zhang and   
                 Junsen Zuo and   
                 Yifeng Dou and   
                    Chao Li and   
                  Hailing Xiong   Version 3.0 of code Java for $3$D
                                  simulation of the CCA model  . . . . . . 547--548
  Camelia Muñoz-Caro and   
        Alfonso Niño and   
     Sebastián Reyes and   
                Miriam Castillo   APINetworks Java. A Java approach to the
                                  efficient treatment of large-scale
                                  complex networks . . . . . . . . . . . . 549--552


Computer Physics Communications
Volume 208, Number ??, November, 2016

                      Anonymous   Editorial Board  . . . . . . . . . . . . ifc--ifc
                  T. Rangel and   
                 D. Caliste and   
                L. Genovese and   
                     M. Torrent   A wavelet-based Projector Augmented-Wave
                                  (PAW) method: Reaching frozen-core
                                  all-electron precision with a
                                  systematic, adaptive and localized
                                  wavelet basis set  . . . . . . . . . . . 1--8
    Szilárd Majorosi and   
          Attila Czirják   Fourth order real space solver for the
                                  time-dependent Schrödinger equation with
                                  singular Coulomb potential . . . . . . . 9--28
                    R. Bakx and   
            R. H. P. Kleiss and   
                  F. Versteegen   First- and second-order error estimates
                                  in Monte Carlo integration . . . . . . . 29--34
                    R. Aaij and   
                   S. Amato and   
               L. Anderlini and   
                  S. Benson and   
                M. Cattaneo and   
               M. Clemencic and   
               B. Couturier and   
                   M. Frank and   
             V. V. Gligorov and   
                    T. Head and   
                   C. Jones and   
                 I. Komarov and   
                  O. Lupton and   
                   R. Matev and   
                   G. Raven and   
                B. Sciascia and   
              T. Skwarnicki and   
                P. Spradlin and   
                   S. Stahl and   
                 B. Storaci and   
              M. Vesterinen and   
                         et al.   Tesla: an application for real-time data
                                  analysis in High Energy Physics  . . . . 35--42
              Marco Berardi and   
           Andrea Andrisani and   
              Luciano Lopez and   
                  Michele Vurro   A new data assimilation technique based
                                  on ensemble Kalman filter and Brownian
                                  bridges: an application to Richards'
                                  equation . . . . . . . . . . . . . . . . 43--53
                Marc Durand and   
                Etienne Guesnet   An efficient Cellular Potts Model
                                  algorithm that forbids cell
                                  fragmentation  . . . . . . . . . . . . . 54--63
                 Tian-E Fan and   
              Gui-Fang Shao and   
             Qing-Shuang Ji and   
               Ji-Wen Zheng and   
               Tun-dong Liu and   
                     Yu-Hua Wen   A multi-populations multi-strategies
                                  differential evolution algorithm for
                                  structural optimization of metal
                                  nanoclusters . . . . . . . . . . . . . . 64--72
         Souvik Chakraborty and   
                Rajib Chowdhury   Modelling uncertainty in incompressible
                                  flow simulation using Galerkin based
                                  generalized ANOVA  . . . . . . . . . . . 73--91
                       P. Deuar   A tractable prescription for large-scale
                                  free flight expansion of wavefunctions   92--102
            Casey E. Berger and   
     Joaquín E. Drut and   
              William J. Porter   Hard-wall and non-uniform lattice Monte
                                  Carlo approaches to one-dimensional
                                  Fermi gases in a harmonic trap . . . . . 103--108
               G. A. Nemnes and   
           Alexandra Palici and   
                   A. Manolescu   Transparent boundary conditions for
                                  time-dependent electron transport in the
                                  $R$-matrix method with applications to
                                  nanostructured interfaces  . . . . . . . 109--116
              Mitsuru Honda and   
               Atsushi Fukuyama   Development of the fluid-type transport
                                  code on the flux coordinates in a
                                  tokamak  . . . . . . . . . . . . . . . . 117--134
              Matthias Puhr and   
              Pavel Buividovich   A numerical method to compute
                                  derivatives of functions of large
                                  complex matrices and its application to
                                  the overlap Dirac operator at finite
                                  chemical potential . . . . . . . . . . . 135--148
            Fabien Bruneval and   
            Tonatiuh Rangel and   
             Samia M. Hamed and   
                Meiyue Shao and   
                  Chao Yang and   
              Jeffrey B. Neaton   molgw 1: Many-body perturbation theory
                                  software for atoms, molecules, and
                                  clusters . . . . . . . . . . . . . . . . 149--161
                K. Pachucki and   
            M. Zientkiewicz and   
                 V. A. Yerokhin   H2SOLV: Fortran solver for diatomic
                                  molecules in explicitly correlated
                                  exponential basis  . . . . . . . . . . . 162--168
                  Bernd A. Berg   Corrigendum to ``Least square fitting
                                  with one explicit parameter less''
                                  [Comput. Phys. Comm. 200 (2016)
                                  254--258]  . . . . . . . . . . . . . . . 169


Computer Physics Communications
Volume 209, Number ??, December, 2016

                      Anonymous   Inside front cover . . . . . . . . . . . ifc--ifc
                     Zhe Ji and   
                     Fei Xu and   
          Akiyuki Takahashi and   
                         Yu Sun   Large scale water entry simulation with
                                  smoothed particle hydrodynamics on
                                  single- and multi-GPU systems  . . . . . 1--12
        Nicolas Crouseilles and   
            Lukas Einkemmer and   
                     Erwan Faou   An asymptotic preserving scheme for the
                                  relativistic Vlasov--Maxwell equations
                                  in the classical limit . . . . . . . . . 13--26
              Yu-Hsin Hsieh and   
              Chi-Ning Chen and   
                    Chin-Kun Hu   Efficient algorithm for computing exact
                                  partition functions of lattice polymer
                                  models . . . . . . . . . . . . . . . . . 27--33
                   Lisha Si and   
               Xiaoyun Liao and   
                    Nengji Zhou   Large-scale Monte Carlo simulations for
                                  the depinning transition in Ising-type
                                  lattice models . . . . . . . . . . . . . 34--41
              Hans De Raedt and   
         Kristel Michielsen and   
                      Karl Hess   The digital computer as a metaphor for
                                  the perfect laboratory experiment:
                                  Loophole-free Bell experiments . . . . . 42--47
                   L. Gr. Ixaru   Numerical approach of some three-body
                                  problems . . . . . . . . . . . . . . . . 48--57
                R. F. Zhang and   
                S. H. Zhang and   
                   Z. J. He and   
                    J. Jing and   
                    S. H. Sheng   Miedema Calculator: a thermodynamic
                                  platform for predicting formation
                                  enthalpies of alloys within framework of
                                  Miedema's Theory . . . . . . . . . . . . 58--69
     A. Lamas Daviña and   
                   E. Ramos and   
                    J. E. Roman   Optimized analysis of isotropic
                                  high-nuclearity spin clusters with GPU
                                  acceleration . . . . . . . . . . . . . . 70--78
                   Hoon Ryu and   
               Yosang Jeong and   
               Ji-Hoon Kang and   
                    Kyu Nam Cho   Time-efficient simulations of
                                  tight-binding electronic structures with
                                  Intel Xeon Phi$^{TM}$ many-core
                                  processors . . . . . . . . . . . . . . . 79--87
             J. C. S. Rocha and   
        L. A. S. Mól and   
                    B. V. Costa   Using zeros of the canonical partition
                                  function map to detect signatures of a
                                  Berezinskii--Kosterlitz--Thouless
                                  transition . . . . . . . . . . . . . . . 88--91
             J. K. Dewhurst and   
                 K. Krieger and   
                  S. Sharma and   
                 E. K. U. Gross   An efficient algorithm for time
                                  propagation as applied to linearized
                                  augmented plane wave method  . . . . . . 92--95
                  M. Beneke and   
                    Y. Kiyo and   
                   A. Maier and   
                      J. Piclum   Near-threshold production of heavy
                                  quarks with QQbar\_threshold . . . . . . 96--115
            S. Poncé and   
              E. R. Margine and   
                   C. Verdi and   
                    F. Giustino   EPW: Electron-phonon coupling, transport
                                  and superconducting properties using
                                  maximally localized Wannier functions    116--133
           Stefano Carrazza and   
             R. Keith Ellis and   
              Giulia Zanderighi   QCDLoop: a comprehensive framework for
                                  one-loop scalar integrals  . . . . . . . 134--143
           Guillaume Vergez and   
              Ionut Danaila and   
             Sylvain Auliac and   
   Frédéric Hecht   A finite-element toolbox for the
                                  stationary Gross--Pitaevskii equation
                                  with rotation  . . . . . . . . . . . . . 144--162
               Craig Warren and   
      Antonios Giannopoulos and   
              Iraklis Giannakis   gprMax: Open source software to simulate
                                  electromagnetic wave propagation for
                                  Ground Penetrating Radar . . . . . . . . 163--170
              N. J. S. Loft and   
           L. B. Kristensen and   
              A. E. Thomsen and   
            A. G. Volosniev and   
                   N. T. Zinner   CONAN --- The cruncher of local exchange
                                  coefficients for strongly interacting
                                  confined systems in one dimension  . . . 171--182
         Ioannis G. Tsoulos and   
         Alexandros Tzallas and   
            Dimitris Tsalikakis   PDoublePop: an implementation of
                                  parallel genetic algorithm for function
                                  optimization . . . . . . . . . . . . . . 183--189
            Vladimir Loncar and   
           Luis E. Young-S. and   
            Srdjan Skrbi\'c and   
      Paulsamy Muruganandam and   
         Sadhan K. Adhikari and   
                    Antun Balaz   OpenMP, OpenMP/MPI, and CUDA/MPI C
                                  programs for solving the time-dependent
                                  dipolar Gross--Pitaevskii equation . . . 190--196
               Zhong-Li Liu and   
                 Qian-Ku Hu and   
               Hai-Yan Wang and   
                   Xiao-Feng Li   Phasego 3.0: Automatic analysis of
                                  synthesis and decomposition conditions
                                  for compounds  . . . . . . . . . . . . . 197--198
                   I. M. Sitnik   The new version of the FUMILIM
                                  minimization package . . . . . . . . . . 199
           Ashton S. Reimer and   
            Alexei F. Cheviakov   Corrigendum to: ``A Matlab-based finite
                                  difference solver for the Poisson
                                  problem with mixed Dirichlet--Neumann
                                  boundary conditions'' [Comput. Phys.
                                  Comm. 184(3) (2013) 783--798]  . . . . . 200--201


Computer Physics Communications
Volume 210, Number ??, January, 2017

                      Anonymous   Editorial Board  . . . . . . . . . . . . ifc--ifc
                  Chao Wang and   
        Håkan Nilsson and   
              Jiandong Yang and   
                  Olivier Petit   $1$D--$3$D coupling for hydraulic system
                                  transient simulations  . . . . . . . . . 1--9
          Fardin Rouzbahani and   
                Kazem Hejranfar   A truly incompressible smoothed particle
                                  hydrodynamics based on artificial
                                  compressibility method . . . . . . . . . 10--28
             Martin Ferrand and   
               Antoine Joly and   
       Christophe Kassiotis and   
             Damien Violeau and   
              Agn\`es Leroy and   
François-Xavier Morel and   
             Benedict D. Rogers   Unsteady open boundaries for SPH using
                                  semi-analytical conditions and Riemann
                                  solver in $2$D . . . . . . . . . . . . . 29--44
    Ilkka Ruokosenmäki and   
          Hossein Gholizade and   
Ilkka Kylänpää and   
               Tapio T. Rantala   Numerical path integral solution to
                                  strong Coulomb correlation in one
                                  dimensional Hooke's atom . . . . . . . . 45--53
             J. T. Childers and   
                 T. D. Uram and   
             T. J. LeCompte and   
                M. E. Papka and   
                 D. P. Benjamin   Adapting the serial Alpgen
                                  parton-interaction generator to simulate
                                  LHC collisions on millions of parallel
                                  threads  . . . . . . . . . . . . . . . . 54--59
                C. L. Stork and   
                C. C. Ummel and   
               D. S. Stuart and   
                  S. Bodily and   
                 B. L. Goldblum   Dynamic analysis environment for nuclear
                                  forensic analyses  . . . . . . . . . . . 60--71
                I. K. Gainullin   High-performance GPU parallel solver for
                                  $3$D modeling of electron transfer
                                  during ion-surface interaction . . . . . 72--78
             Fabio Bacchini and   
       Vyacheslav Olshevsky and   
             Stefaan Poedts and   
               Giovanni Lapenta   A new Particle-in-Cell method for
                                  modeling magnetized fluids . . . . . . . 79--91
                   A. Jablonski   Multiple elastic scattering of electrons
                                  in condensed matter  . . . . . . . . . . 92--102
                Joshua P. Ellis   Ti$k$Z-Feynman: Feynman diagrams with
                                  Ti$k$Z . . . . . . . . . . . . . . . . . 103--123
                 Amparo Gil and   
              Javier Segura and   
                  Nico M. Temme   Efficient computation of Laguerre
                                  polynomials  . . . . . . . . . . . . . . 124--131
                Haoyu S. Yu and   
           Lucas J. Fiedler and   
                I. M. Alecu and   
              Donald G. Truhlar   Computational thermochemistry: Automated
                                  generation of scale factors for
                                  vibrational frequencies calculated by
                                  electronic structure model chemistries   132--138
                Fawei Zheng and   
                     Ping Zhang   Phonon Unfolding: a program for
                                  unfolding phonon dispersions of
                                  materials  . . . . . . . . . . . . . . . 139--144
                H. Vincenti and   
                   M. Lobet and   
                    R. Lehe and   
                 R. Sasanka and   
                      J.-L. Vay   An efficient and portable SIMD algorithm
                                  for charge/current deposition in
                                  Particle-In-Cell codes . . . . . . . . . 145--154
            M. A. Chilenski and   
                I. C. Faust and   
                     J. R. Walk   eqtools: Modular, extensible,
                                  open-source, cross-machine Python tools
                                  for working with magnetic equilibria . . 155--162
               Pilar Cossio and   
                 David Rohr and   
              Fabio Baruffa and   
               Markus Rampp and   
        Volker Lindenstruth and   
                 Gerhard Hummer   BioEM: GPU-accelerated computing of
                                  Bayesian inference of electron
                                  microscopy images  . . . . . . . . . . . 163--171
          Alexey E. Nazarov and   
           Roman G. Fedunov and   
              Anatoly I. Ivanov   Principals of simulation of ultrafast
                                  charge transfer in solution within the
                                  multichannel stochastic point-transition
                                  model  . . . . . . . . . . . . . . . . . 172--180
               Yongsheng Fu and   
              Jiaolong Zeng and   
                   Jianmin Yuan   PCTDSE: a parallel Cartesian-grid-based
                                  TDSE solver for modeling laser-atom
                                  interactions . . . . . . . . . . . . . . 181--192
                   S.-P. Fu and   
                    Z. Peng and   
                    H. Yuan and   
                  R. Kfoury and   
                   Y. -N. Young   Lennard-Jones type pair-potential method
                                  for coarse-grained lipid bilayer
                                  membrane simulations in LAMMPS . . . . . 193--203


Computer Physics Communications
Volume 211, Number ??, February, 2017

                      Anonymous   Editorial Board  . . . . . . . . . . . . ifc--ifc
                   Jue Wang and   
                    Fei Gao and   
  Jose Luis Vazquez-Poletti and   
                   Jianjiang Li   High performance computing for advanced
                                  modeling and simulation of materials . . 1
           Markus Eisenbach and   
                Jeff Larkin and