Last update:
Thu May 30 09:24:35 MDT 2024
K. S. Kölbig and
B. Schorr A program package for the Landau
distribution . . . . . . . . . . . . . . 97--111
I. J. Thompson and
A. R. Barnett COULCC: a continued-fraction algorithm
for Coulomb functions of complex order
with complex arguments . . . . . . . . . 363--372
I. J. Thompson and
A. R. Barnett Modified Bessel functions $ I_\nu (z) $
and $ K_\nu (z) $ of real order and
complex argument, to selected accuracy 245--257
Eric Fijalkow A numerical solution to the Vlasov
equation . . . . . . . . . . . . . . . . 319--328
Lukás Pichl and
Hiroki Nakamura and
Ji\vrí Horácek Analytical treatment of singular
equations in dissociative recombination 1--18
A. Doicu and
Yu. A. Eremin and
T. Wriedt $T$- and $D$-matrix methods for
electromagnetic scattering by impedance
obstacles . . . . . . . . . . . . . . . 19--27
Richard Blankenbecler Track fitting and antennas . . . . . . . 28--39
Akmal A. Vakhidov Construction of polynomial approximation
for Hansen coefficients . . . . . . . . 40--48
Raphaël Couturier and
Christophe Chipot Parallel molecular dynamics using OpenMP
on a shared memory machine . . . . . . . 49--59
J. Merimaa and
L. F. Perondi and
K. Kaski An interactive simulation program for
visualizing complex phenomena in solids 60--75
S. Heinemeyer and
W. Hollik and
G. Weiglein FeynHiggs: a program for the calculation
of the masses of the neutral CP-even
Higgs bosons in the MSSM . . . . . . . . 76--89
D. Loveall and
M. B. Hamley and
B. J. Miller and
K. Bartschat Simulation of collisionally excited
atomic states . . . . . . . . . . . . . 90--103
J. Segura and
A. Gil Evaluation of toroidal harmonics . . . . 104--122
Anonymous Book review . . . . . . . . . . . . . . 123--123
Anonymous Instructions to Authors (1999 revision) ix--xv
P. G. Burke and
C. Jackson and
N. S. Scott CPC International Program Library:
Description of Library Services January
2000 . . . . . . . . . . . . . . . . . . xvi--xxvi
Ana Proykova How to improve a random number generator 125--131
Rosa M. Fitzgerald and
Granville Sewell Solving problems in computational
physics using a general-purpose PDE
solver . . . . . . . . . . . . . . . . . 132--138
R. Koradi and
M. Billeter and
P. Güntert Point-centered domain decomposition for
parallel molecular dynamics simulation 139--147
Werner Fettes and
Ingo Morgenstern Limitations of the stochastic
diagonalization and the projector QMC in
the $2$D Hubbard model . . . . . . . . . 148--168
S. Brandt and
J. A. Font and
J. Ma Ibáñez and
J. Massó and
E. Seidel Numerical evolution of matter in
dynamical axisymmetric black hole
spacetimes: I. Methods and tests . . . . 169--196
T. Bastin and
E. Solano Numerical computation of one-photon
mazer resonances for arbitrary field
modes . . . . . . . . . . . . . . . . . 197--203
Antonio Brunetti A fast and precise genetic algorithm for
a non-linear fitting problem . . . . . . 204--211
P. Kravanja and
M. Van Barel and
O. Ragos and
M. N. Vrahatis and
F. A. Zafiropoulos ZEAL: a mathematical software package
for computing zeros of analytic
functions . . . . . . . . . . . . . . . 212--232
S. Jadach and
B. F. L. Ward and
Z. W\kas The Monte Carlo program KORALZ, for the
lepton or quark pair production at
LEP/SLC energies From version 4.0 to
version 4.04 . . . . . . . . . . . . . . 233--237
A. Jacholkowska and
J. Kalinowski and
Z. W\kas Library of SM and anomalous WW $ \gamma
$ couplings for the $ e^+ e^- \to f f
\nu n \gamma $ Monte Carlo programs . . 238--242
T. Paul and
J. Swain and
Z. W\kas Library of anomalous $ \tau \tau \gamma
$ couplings for $ \tau^+ \tau^-(n
\gamma) $ Monte Carlo programs . . . . . 243--246
Oleg Zatsarinny and
Charlotte Froese Fischer A general program for computing angular
integrals of the Breit--Pauli
Hamiltonian with non-orthogonal orbitals 247--289
A. Mücke and
Ralph Engel and
J. P. Rachen and
R. J. Protheroe and
Todor Stanev Monte Carlo simulations of photohadronic
processes in astrophysics . . . . . . . 290--314
George Delic and
Gordon G. Cash The permanent of $ 0, 1 $ matrices and
Kallman's algorithm . . . . . . . . . . 315--329
J. Ehlert and
H. Stiel and
K. Teuchner A numerical solver for rate equations
and photon transport equations in
nonlinear laser spectroscopy . . . . . . 330--339
S. Fritzsche and
C. Froese Fischer and
C. Z. Dong REOS99: a revised program for transition
probability calculations including
relativistic, correlation, and
relaxation effects . . . . . . . . . . . 340--352
S. Fritzsche and
J. Anton CESD99 --- A new version to represent
atomic wave functions in a determinant
basis . . . . . . . . . . . . . . . . . 353--355
M. Brooks Quantum Computing and Communications . . 357--358
Eric Fijalkow Erratum to ``A numerical solution to the
Vlasov equation'' [Computer Physics
Communications 116 (1999) 319--328] . . 359--359
Anonymous Index . . . . . . . . . . . . . . . . . 363--365
Anonymous Index . . . . . . . . . . . . . . . . . 366--367
Susumu Yamamoto Effective implementations of
multi-dimensional radix-2 FFT . . . . . 1--7
M. Skrzypek and
Z. W\kas How to generate four-fermion phase space 8--20
T. E. Simos An accurate eighth order
exponentially-fitted method for the
efficient solution of the Schrödinger
equation . . . . . . . . . . . . . . . . 21--59
E. Suetomi and
M. Tanaka and
S. Kamiya and
S. Hayashi and
S. Ikeda and
H. Sugawara and
Y. Sakai Two-dimensional fluid simulation of
plasma reactors for the immobilization
of krypton . . . . . . . . . . . . . . . 60--74
Thomas Rylander and
Anders Bondeson Stable FEM--FDTD hybrid method for
Maxwell's equations . . . . . . . . . . 75--82
Lorenzo Pisani Dimensionality reduction in the
numerical evaluation of electro-magnetic
scattering: from the Kirchhoff's
integral method to a zero-dimensional
approach . . . . . . . . . . . . . . . . 83--89
Dajun Cheng and
Yahia M. M. Antar and
Gang Wang Electromagnetic scattering by a
conducting cylinder coated with a
uniaxial chiral layer of varying
thickness: generalized mode-matching
method . . . . . . . . . . . . . . . . . 90--104
L. Steinbeck and
A. Rubio and
L. Reining and
M. Torrent and
I. D. White and
R. W. Godby Enhancements to the GW space--time
method . . . . . . . . . . . . . . . . . 105--118
Thilo Sauter Integration of highly oscillatory
functions . . . . . . . . . . . . . . . 119--126
Gh. Adam and
S. Adam Reliable operations on oscillatory
functions . . . . . . . . . . . . . . . 127--141
K.-Y. Wang and
D. J. Lary and
S. M. Hall Improvement of a $3$D CTM and a $4$D
variational data assimilation on a
vector machine CRAY J90 through a
multitasking strategy . . . . . . . . . 142--153
Csaba Török $4$-Point transforms and approximation 154--166
Kholmirzo Kholmurodov and
William Smith and
Kenji Yasuoka and
Toshikazu Ebisuzaki A highly vectorised ``link-cell''
FORTRAN code for the DL\_POLY molecular
dynamics simulation package . . . . . . 167--192
M. J. Jamieson Newton--Raphson/log-derivative method
for finding eigenenergies . . . . . . . 193--195
Frank Jenko Massively parallel Vlasov simulation of
electromagnetic drift-wave turbulence 196--209
J. J. Ruiz-Lorenzo and
C. L. Ullod Study of a microcanonical algorithm on
the $ \pm J $ spin glass model in $ d =
3 $ . . . . . . . . . . . . . . . . . . 210--220
G. Vladuca and
Anabella Tudora SPECTRUM --- A computer code for prompt
fission neutron spectrum and prompt
neutron multiplicity calculation . . . . 221--238
Iosif G. Dyadkin and
Kenneth G. Hamilton A study of 128-bit multipliers for
congruential pseudorandom number
generators . . . . . . . . . . . . . . . 239--258
A. G. Abrashkevich and
I. V. Puzynin and
S. I. Vinitsky ASYMPT: a program for calculating
asymptotics of hyperspherical potential
curves and adiabatic potentials . . . . 259--281
W. Pöschl and
B. Müller Collision of SU(2) gauge fields in 3+1
dimensions . . . . . . . . . . . . . . . 282--315
Anonymous Index . . . . . . . . . . . . . . . . . 316--317
Anonymous Index . . . . . . . . . . . . . . . . . 318--319
Anonymous Index . . . . . . . . . . . . . . . . . 320--320
P. G. Akishin and
E. P. Akishina and
P. Akritas and
I. Antoniou and
J. Ioannovich and
V. V. Ivanov Stochastic filtering of digital images
of skin micro-structure . . . . . . . . 1--11
I. V. Amirkhanov and
S. V. Konnova and
E. P. Zhidkov The factorization method and particular
solutions of the relativistic Schrödinger
equation of $n$ th order ( n=4,6 ) . . . 12--15
I. V. Amirkhanov and
A. I. Machavariani and
I. V. Puzynin and
T. P. Puzynina and
T. A. Strizh and
E. V. Zemlyanaya Numerical solution of two-body
relativistic equations for the
bound-state problem with confining and
Coulomb potentials . . . . . . . . . . . 16--21
I. V. Barashenkov and
E. V. Zemlyanaya Oscillatory instabilities of gap
solitons: a numerical study . . . . . . 22--27
V. S. Barashenkov Monte Carlo simulation of ionization and
nuclear processes initiated by hadron
and ion beams in media . . . . . . . . . 28--31
V. T. Borukhov and
P. N. Vabishchevich Numerical solution of the inverse
problem of reconstructing a distributed
right-hand side of a parabolic equation 32--36
K. V. Brushlinsky Mathematical modelling in plasmastatics 37--40
Lilun Cao and
Jianping Zhu and
Pasquale Cinnella An efficient computational method for
simulations of reaction-diffusion
processes . . . . . . . . . . . . . . . 41--46
N. A. Chekanov and
V. A. Rostovtsev and
Y. Uwano and
S. I. Vinitsky GITA $^{-1}$: a symbolic computing
program for an inverse problem of the
Birkhoff--Gustavson normal form
expansion . . . . . . . . . . . . . . . 47--50
Janusz Czyz and
Dorota Nie\'scioruk On ``drunken sinusoids'' and their
Fourier series . . . . . . . . . . . . . 51--56
A. L. Dyshko and
N. B. Konyukhova and
N. A. Voronov Automodelling solutions of the
Higgs-field nonlinear wave equation in
the de Sitter space . . . . . . . . . . 57--62
W. Eppler and
T. Fischer and
H. Gemmeke and
A. Chilingarian and
A. Vardanyan Neural Chip SAND in online data
processing of extensive air showers . . 63--66
V. M. Filippov and
S. P. Mikailovna and
Yake Gondo Construction of variational factors for
quasilinear second order partial
differential equations . . . . . . . . . 67--71
I. A. Golutvin and
Y. T. Kiriouchine and
S. A. Movchan and
G. A. Ososkov and
V. V. Palichik and
E. A. Tikhonenko Robust estimates of track parameters and
spatial resolution for CMS muon chambers 72--76
Chin-Kun Hu and
Jau-Ann Chen and
N. Sh. Izmailian and
P. Kleban Recent developments in the Monte Carlo
approach to percolation problems . . . . 77--81
S. V. Klimenko and
I. N. Nikitin and
W. F. Urazmetov Methods of numerical analysis of
$1$-dimensional $2$-body problem in
Wheeler--Feynman electrodynamics . . . . 82--87
E. A. Kolganova and
A. K. Motovilov Scattering and resonances in the $^4$He
three-atomic system . . . . . . . . . . 88--92
E. L. Kosarev and
E. P. Krasnoperov A new calculation technique of muonium
formation rate . . . . . . . . . . . . . 93--100
D. P. Kostomarov and
F. S. Zaitsev and
A. G. Shishkin and
D. C. Robinson and
M. R. O'Brien and
M. Gryaznevich The problem of evolution of toroidal
plasma equilibria . . . . . . . . . . . 101--106
Tatiana Levitina and
Erkki J. Brändas On the Schrödinger equation in
ellipsoidal coordinates . . . . . . . . 107--113
P. M. Lima and
M. Carpentier Numerical solution of a singular
boundary-value problem in non-Newtonian
fluid mechanics . . . . . . . . . . . . 114--120
Vladimir V. Masjukov A mathematical and computer model of the
main tropical hurricane wave system . . 121--125
Olga Yu. Miliukova and
Vyacheslav A. Trofimov and
Irina G. Zakharova Mathematical modeling of diffraction
instability in optical bistable system 126--130
David L. Morgan, Jr. and
J. Robert Neely and
Harry C. Vantine Periodic boundary conditions in a $3$D
hydro code . . . . . . . . . . . . . . . 131--136
A. W. Niukkanen A transformation of $ F_4 $ suggestive
of a new approach to symbolic
manipulation programming . . . . . . . . 137--140
A. W. Niukkanen and
O. S. Paramonova Computer generation of complicated
transformations and reduction formulas
for multiple hypergeometric series . . . 141--148
G. Ososkov and
A. Shitov Gaussian wavelet features and their
applications for analysis of discretized
signals . . . . . . . . . . . . . . . . 149--157
I. V. Puzynin and
A. V. Selin and
S. I. Vinitsky Magnus-factorized method for numerical
solving the time-dependent Schrödinger
equation . . . . . . . . . . . . . . . . 158--161
V. Roudnev and
S. Yakovlev Improved tensor-trick algorithm:
application to helium trimer . . . . . . 162--164
S. K. Slepnyov Integrals of Lotka--Volterra systems
with partially broken symmetry . . . . . 165--167
T. M. Solov'eva and
E. P. Zhidkov Iteration method of solving the integral
equation with nonlinear dependence on
spectral parameter . . . . . . . . . . . 168--177
I. P. Streltsov Application of Chebyshev and Legendre
polynomials on discrete point set to
function interpolation and solving
Fredholm integral equations . . . . . . 178--181
Anonymous Index . . . . . . . . . . . . . . . . . 182--185
Anonymous Preface . . . . . . . . . . . . . . . . xi--xi
A. J. Roberts Computer algebra derives correct initial
conditions for low-dimensional dynamical
models . . . . . . . . . . . . . . . . . 187--206
S. I. Zaki Solitary waves of the Korteweg--de
Vries--Burgers' equation . . . . . . . . 207--218
S. I. Zaki Solitary wave interactions for the
modified equal width equation . . . . . 219--231
R. Tanaka and
T. Nakamura and
T. Yabe Constructing exactly conservative scheme
in a non-conservative form . . . . . . . 232--243
R. Tafirout and
G. Azuelos EXOTIC --- A heavy fermion and excited
fermion Monte Carlo generator for $ e^+
e^- $ physics . . . . . . . . . . . . . 244--260
R. Portugal The Riegeom package: abstract tensor
calculation . . . . . . . . . . . . . . 261--268
C. F. R. Caron and
R. M. Potvliege propBG: a program for calculating the
intensity and the far-field profile of
harmonics emitted by a dilute gas
irradiated by an intense Gaussian or
Bessel--Gauss laser beam . . . . . . . . 269--293
Max Petersen and
Frank Wagner and
Lars Hufnagel and
Matthias Scheffler and
Peter Blaha and
Karlheinz Schwarz Improving the efficiency of FP-LAPW
calculations . . . . . . . . . . . . . . 294--309
Keith Refson Moldy: a portable molecular dynamics
simulation program for serial and
parallel computers . . . . . . . . . . . 310--329
Peter MacNeice and
Kevin M. Olson and
Clark Mobarry and
Rosalinda de Fainchtein and
Charles Packer PARAMESH: a parallel adaptive mesh
refinement community toolkit . . . . . . 330--354
Anonymous Index . . . . . . . . . . . . . . . . . 355--357
Anonymous Index . . . . . . . . . . . . . . . . . 358--361
Anonymous Index . . . . . . . . . . . . . . . . . 362--362
Simeon Warner and
Simon Catterall and
Eric Gregory and
Edward Lipson SimScience: Interactive educational
modules based on large simulations . . . 1--5
Harvey Gould Computational physics and the
undergraduate curriculum . . . . . . . . 6--10
Dieter W. Heermann and
Thomas T. Fuhrmann Teaching physics in the virtual
university: the mechanics toolkit . . . 11--15
Wolfgang Christian Java programming and Internet
technologies for undergraduate education 16--22
R. K. P. Zia and
L. B. Shaw and
B. Schmittmann and
R. J. Astalos Contrasts between equilibrium and
non-equilibrium steady states: computer
aided discoveries in simple lattice
gases . . . . . . . . . . . . . . . . . 23--31
Masuo Suzuki Mathematical basis of computational
statistical physics and quantum analysis 32--36
Michael Creutz Lattice fields and extra dimensions . . 37--42
Luis Lehner Gravitational radiation, black holes and
the characteristic formulation of G.R. 43--52
Wolfgang Hillebrandt and
Martin Reinecke and
Jens C. Niemeyer Thermonuclear supernovae . . . . . . . . 53--58
Scott E. Parker and
Yang Chen and
Charlson C. Kim Electromagnetic gyrokinetic-ion
drift-fluid-electron hybrid simulation 59--70
H. X. Vu and
K. Y. Sanbonmatsu and
B. Bezzerides and
D. F. DuBois Laying a foundation for laser-plasma
modeling for the national ignition
facility . . . . . . . . . . . . . . . . 71--90
G. P. Berman and
G. D. Doolen and
V. I. Tsifrinovich Quantum computation as a dynamical
process . . . . . . . . . . . . . . . . 91--99
Mototsugu Yoshida A National Project on mesoscopic
simulation in Japan . . . . . . . . . . 100--104
A. Malevanets and
J. M. Yeomans Modeling viscous drag in binary fluid
mixtures . . . . . . . . . . . . . . . . 105--112
Dietrich Stauffer Irreversible statistical mechanics from
reversible motion: Q2R automata . . . . 113--119
H. J. Herrmann and
M. Müller Simulations of granular materials on
different scales . . . . . . . . . . . . 120--125
K. Binder and
E. Luijten Monte Carlo tests of theoretical
predictions for critical phenomena:
still a problem? . . . . . . . . . . . . 126--130
Jian-Sheng Wang and
Lik Wee Lee Monte Carlo algorithms based on the
number of potential moves . . . . . . . 131--136
Erik Koch and
Olle Gunnarsson and
Richard M. Martin Metal-insulator transitions in
generalized Hubbard models . . . . . . . 137--142
M. Guerrero and
G. Ortiz and
J. E. Gubernatis Search for superconductivity in the
two-dimensional Hubbard model using the
Constrained Path Monte Carlo . . . . . . 143--149
Shiwei Zhang Finite-temperature calculations of
correlated electron systems . . . . . . 150--155
Yuriy Makhlin and
Gerd Schön and
Alexander Shnirman Josephson junction quantum logic gates 156--164
Steven A. Orszag and
I. Staroselsky CFD: Progress and problems . . . . . . . 165--171
Anonymous Index . . . . . . . . . . . . . . . . . 173--174
B. Boghosian and
G. D. Doolen and
D. P. Landau Preface to Selected Papers from the
International Conference on
Computational Physics CCP99 . . . . . . xi--xii
Fionn Murtagh and
Daniel Egret Foreword to articles on ``From
information to knowledge using
astronomical databases'' . . . . . . . . 175--176
R. J. Hanisch Integrated access to distributed data
and information services in astrophysics
and the space sciences . . . . . . . . . 177--187
Patricio F. Ortiz The hierarchical organization of
information in astronomy or ``How to
organize things to find them without
much effort'' . . . . . . . . . . . . . 188--197
Taoufiq Dkaki and
Bernard Dousset and
Daniel Egret and
Josiane Mothe Information discovery from
semi-structured sources --- Application
to astronomical literature . . . . . . . 198--206
T. F. Lunney and
A. J. McCaughey Component based distributed systems ---
CORBA and EJB in context . . . . . . . . 207--214
Damien Guillaume and
Fionn Murtagh Clustering of XML documents . . . . . . 215--227
E. I. Litvinenko and
E. P. Zhidkov Some methods of neutron scattering data
analysis . . . . . . . . . . . . . . . . 229--241
Hamid Kharraziha and
Stefano Moretti The Metropolis algorithm for on-shell
four-momentum phase space . . . . . . . 242--260
B. Ravat and
H. Chapelotte and
M. Grivet and
A. Chambaudet Model and simulation of quenching
effects on the shape of a tritium $
\beta^- $ in a liquid scintillation
counting . . . . . . . . . . . . . . . . 261--267
J. A. Vergés A brief comparison between two programs
that compute the static conductance of a
disordered two-dimensional tight-binding
system . . . . . . . . . . . . . . . . . 268--270
S. García and
F. Fuentes and
C. Paz Explicit electromagnetic algorithm for
$2$D using a multi-fluid model in
laser-produced plasmas . . . . . . . . . 271--285
S. O. Kastner Rao coefficients for the solution of
convolution integral equations . . . . . 286--289
Burkhard Schmidt and
Petra \vZ\udánská Solution of the time-dependent
Schrödinger equation for highly symmetric
potentials . . . . . . . . . . . . . . . 290--308
M. Maslen and
P. Abbott Automation of the lifting factorisation
of wavelet transforms . . . . . . . . . 309--326
K. Reuter and
P. L. de Andres and
F. J. Garcia-Vidal and
D. Sestovic and
F. Flores and
K. Heinz Green's function calculation of
Ballistic Electron Emission Microscopy
currents (BEEM v2.1) . . . . . . . . . . 327--342
S. Stamatiadis and
R. Prosmiti and
S. C. Farantos auto\_deriv: Tool for automatic
differentiation of a Fortran code . . . 343--355
Anonymous Index . . . . . . . . . . . . . . . . . 360--362
Anonymous Index . . . . . . . . . . . . . . . . . 363--363
Sohrab Ismail-Beigi and
T. A. Arias New algebraic formulation of density
functional calculation . . . . . . . . . 1--45
Zlatko Baci\'c Fully coupled six-dimensional
calculations of rovibrational
eigenstates of floppy four-atom
molecules . . . . . . . . . . . . . . . 46--54
Barry Bolding and
Kim Baldridge Multithreaded shared memory parallel
implementation of the electronic
structure code GAMESS . . . . . . . . . 55--66
Stuart C. Watson and
Emily A. Carter Linear-scaling parallel algorithms for
the first principles treatment of metals 67--92
Matt Challacombe A general parallel sparse-blocked matrix
multiply for linear scaling SCF theory 93--107
Luciano Colombo and
Mario Rosati Parallel tight-binding molecular
dynamics simulations on symmetric
multi-processing platforms . . . . . . . 108--117
Veaceslav Zaloj and
Ron Elber Parallel computations of molecular
dynamics trajectories using the
stochastic path approach . . . . . . . . 118--127
J. L. Tilson and
W. C. Ermler and
R. M. Pitzer Parallel spin-orbit coupled
configuration interaction . . . . . . . 128--138
N. Sanna and
F. A. Gianturco SCELib: a parallel computational library
of molecular properties in the single
center approach . . . . . . . . . . . . 139--169
Thomas R. Furlani and
Jing Kong and
Peter M. W. Gill Parallelization of SCF calculations
within Q-Chem . . . . . . . . . . . . . 170--177
E. M. Goldfield Parallel strategies for four-atom
quantum dynamics calculations . . . . . 178--189
Graham D. Fletcher and
Michael W. Schmidt and
Brett M. Bode and
Mark S. Gordon The Distributed Data Interface in GAMESS 190--200
J. E. Gubernatis and
M. Guerrero Random walk beyond Hartree--Fock . . . . 201--209
S. Roy and
R. Y. Jin and
V. Chaudhary and
W. L. Hase Parallel molecular dynamics simulations
of alkane/hydroxylated $ \alpha
$-aluminum oxide interfaces . . . . . . 210--218
Grant S. Heffelfinger Parallel atomistic simulations . . . . . 219--237
Ida M. B. Nielsen and
Curtis L. Janssen Multi-threading: a new dimension to
massively parallel scientific
computation . . . . . . . . . . . . . . 238--244
Rajiv K. Kalia and
Timothy J. Campbell and
Alok Chatterjee and
Aiichiro Nakano and
Priya Vashishta and
Shuji Ogata Multiresolution algorithms for massively
parallel molecular dynamics simulations
of nanostructured materials . . . . . . 245--259
Ricky A. Kendall and
Edoardo Apr\`a and
David E. Bernholdt and
Eric J. Bylaska and
Michel Dupuis and
George I. Fann and
Robert J. Harrison and
Jialin Ju and
Jeffrey A. Nichols and
Jarek Nieplocha and
T. P. Straatsma and
Theresa L. Windus and
Adrian T. Wong High performance computational
chemistry: an overview of NWChem, a
distributed parallel application . . . . 260--283
Fredrik Hedman and
Aatto Laaksonen Parallel aspects of quantum molecular
dynamics simulations of liquids . . . . 284--294
Antonio Lagan\`a and
Stefano Crocchianti and
Alessandro Bolloni and
Valentina Piermarini and
Ranieri Baraglia and
Renato Ferrini and
Domenico Laforenza Computational granularity and parallel
models to scale up reactive scattering
calculations . . . . . . . . . . . . . . 295--314
Philip Eggert and
Alexandra Viel and
Claude Leforestier Parallel implementation of a
pseudo-spectral calculation of molecular
energy levels: Application to the water
dimer (H$_2$O)$_2$ . . . . . . . . . . . 315--325
Hans Peter Lüthi Metacomputing, an emerging technology? 326--332
Mark E. Tuckerman and
D. A. Yarne and
Shane O. Samuelson and
Adam L. Hughes and
Glenn J. Martyna Exploiting multiple levels of
parallelism in Molecular Dynamics based
calculations via modern techniques and
software paradigms on distributed memory
computers . . . . . . . . . . . . . . . 333--376
T. P. Straatsma and
M. Philippopoulos and
J. A. McCammon NWChem: Exploiting parallelism in
molecular simulations . . . . . . . . . 377--385
Carl Winstead and
Vincent McKoy Parallel computational studies of
electron-molecule collisions . . . . . . 386--398
Jooyoung Lee and
Jaros\law Pillardy and
Cezary Czaplewski and
Yelena Arnautova and
Daniel R. Ripoll and
Adam Liwo and
Kenneth D. Gibson and
Ryszard J. Wawak and
Harold A. Scheraga Efficient parallel algorithms in global
optimization of potential energy
functions for peptides, proteins, and
crystals . . . . . . . . . . . . . . . . 399--411
Dan Jonsson and
Kenneth Ruud and
Peter R. Taylor Parallel calculations of molecular
properties . . . . . . . . . . . . . . . 412--433
Hamse Y. Mussa and
Jonathan Tennyson Bound and quasi-bound
rotation-vibrational states using
massively parallel computers . . . . . . 434--445
Jay Srinivasan and
Yuri L. Volobuev and
Steven L. Mielke and
Donald G. Truhlar Parallel Fourier Path-Integral Monte
Carlo calculations of absolute free
energies and chemical equilibria . . . . 446--464
Yuri L. Volobuev and
Donald G. Truhlar An MIMD strategy for quantum mechanical
reactive scattering calculations . . . . 465--476
C. F. Cornwell and
L. T. Wille Parallel molecular dynamics simulations
for short-ranged many-body potentials 477--491
Tong Peng and
Dong H. Zhang and
Dun-You Wang and
Yi-Min Li and
J. Z. H. Zhang Dynasol: a visual quantum dynamics
package . . . . . . . . . . . . . . . . 492--495
Roberto Ansaloni and
Gian Luigi Bendazzoli and
Stefano Evangelisti and
Elda Rossi A parallel Full-CI algorithm . . . . . . 496--515
Yuri L. Volobuev and
Donald G. Truhlar Stabilization methods for quantum
mechanical resonance states of four-body
systems . . . . . . . . . . . . . . . . 516--526
Anonymous Index . . . . . . . . . . . . . . . . . 527--530
J. Fleischer and
M. Yu. Kalmykov ON-SHELL2: FORM based package for the
calculation of two-loop self-energy
single scale Feynman diagrams occurring
in the Standard Model . . . . . . . . . 531--549
Alexandre M. J. J. Bonvin and
Alan E. Mark and
Wilfred F. van Gunsteren The GROMOS96 benchmarks for molecular
simulation . . . . . . . . . . . . . . . 550--557
Daniel A. White Vector finite element modeling of
optical tweezers . . . . . . . . . . . . 558--564
Alexander P. Lyubartsev and
Aatto Laaksonen M.Dyna Mix --- a scalable portable
parallel MD simulation package for
arbitrary molecular mixtures . . . . . . 565--589
A. J. Ward and
J. B. Pendry A program for calculating photonic band
structures, Green's functions and
transmission/reflection coefficients
using a non-orthogonal FDTD method . . . 590--621
A. Pashov and
W. Jastrz\kebski and
P. Kowalczyk Construction of potential curves for
diatomic molecular states by the IPA
method . . . . . . . . . . . . . . . . . 622--634
Charlotte Froese Fischer The MCHF atomic-structure package . . . 635--636
David Maley C++ Toolkit for Engineers and Scientists 637--638
Anonymous Index . . . . . . . . . . . . . . . . . 639--641
Anonymous Index . . . . . . . . . . . . . . . . . 642--645
Anonymous Index . . . . . . . . . . . . . . . . . 646--646
T. Ihle and
D. M. Kroll Thermal lattice-Boltzmann method for
non-ideal gases with potential energy 1--12
D. Dubbeldam and
A. G. Hoekstra and
P. M. A. Sloot Dynamic structure factor in single- and
two-species thermal GBL lattice gas . . 13--20
Hudong Chen and
Chris Teixeira $H$-theorem and origins of instability
in thermal lattice Boltzmann models . . 21--31
Takaji Inamuro and
Nobuharu Konishi and
Fumimaru Ogino A Galilean invariant model of the
lattice Boltzmann method for multiphase
fluid flows using free-energy approach 32--45
Bruce M. Boghosian and
Peter V. Coveney A particulate basis for an immiscible
lattice-gas model . . . . . . . . . . . 46--55
Yasuhiro Hashimoto and
Yu Chen and
Hirotada Ohashi Immiscible real-coded lattice gas . . . 56--62
Li-Shi Luo Some recent results on discrete velocity
models and ramifications for lattice
Boltzmann equation . . . . . . . . . . . 63--74
Tomonori Sakai and
Yu Chen and
Hirotada Ohashi Formation of micelle in the real-coded
lattice gas . . . . . . . . . . . . . . 75--81
M. M. Cerimele and
F. Pistella and
S. Succi Particle-inspired scheme for the
Gross--Pitaevski equation: An
application to Bose--Einstein
condensation . . . . . . . . . . . . . . 82--90
Jonas Tölke and
Manfred Krafczyk and
Manuel Schulz and
Ernst Rank Discretization of the Boltzmann equation
in velocity space using a Galerkin
approach . . . . . . . . . . . . . . . . 91--99
D. Kandhai and
W. Soll and
S. Chen and
A. Hoekstra and
P. Sloot Finite-Difference Lattice-BGK methods on
nested grids . . . . . . . . . . . . . . 100--109
Koji Kono and
Tatsumi Ishizuka and
Hiroshi Tsuda and
Atsushi Kurosawa Application of lattice Boltzmann model
to multiphase flows with phase
transition . . . . . . . . . . . . . . . 110--120
Raoyang Zhang and
Xiaoyi He and
Shiyi Chen Interface and surface tension in
incompressible lattice Boltzmann
multiphase model . . . . . . . . . . . . 121--130
Michihisa Tsutahara and
Shi-de Feng and
Takeshi Kataoka Simulation of the stratified flows using
the two-component lattice Boltzmann
method . . . . . . . . . . . . . . . . . 131--137
Shingo Tsunoda and
Yu Chen and
Hirotada Ohashi A new surface tracking algorithm for
lattice gas automata . . . . . . . . . . 138--144
Hiroaki Niimura Lattice-gas model with wetness control
for various deformable microstructures 145--157
Xiaoyi He and
Ning Li Lattice Boltzmann simulation of
electrochemical systems . . . . . . . . 158--166
Bastien Chopard and
Alexandre Masselot and
Alexandre Dupuis A lattice gas model for erosion and
particles transport in a fluid . . . . . 167--176
K. W. Yu and
Jones T. K. Wan Interparticle force in polydisperse
electrorheological fluids . . . . . . . 177--184
P. Raiskinmäki and
A. Shakib-Manesh and
A. Koponen and
A. Jäsberg and
M. Kataja and
J. Timonen Simulations of non-spherical particles
suspended in a shear flow . . . . . . . 185--195
A. Jäsberg and
A. Koponen and
M. Kataja and
J. Timonen Hydrodynamical forces acting on
particles in a two-dimensional flow near
a solid wall . . . . . . . . . . . . . . 196--206
Chris Teixeira and
Hudong Chen and
David M. Freed Multi-speed thermal lattice Boltzmann
method stabilization via equilibrium
under-relaxation . . . . . . . . . . . . 207--226
A. J. Wagner and
L. Giraud and
C. E. Scott Simulation of a cusped bubble rising in
a viscoelastic fluid with a new
numerical method . . . . . . . . . . . . 227--232
Naoki Takada and
Masaki Misawa and
Akio Tomiyama and
Shinya Fujiwara Numerical simulation of two- and
three-dimensional two-phase fluid motion
by lattice Boltzmann method . . . . . . 233--246
J. Bernsdorf and
G. Brenner and
F. Durst Numerical analysis of the pressure drop
in porous media flow with lattice
Boltzmann (BGK) automata . . . . . . . . 247--255
Ronald Blaak and
Peter M. A. Sloot Lattice dependence of reaction-diffusion
in lattice Boltzmann modeling . . . . . 256--266
Olga Filippova and
Dieter Haenel A novel numerical scheme for reactive
flows at low Mach numbers . . . . . . . 267--274
Kai Zhang and
Charles W. Manke Simulation of diblock copolymer melts by
Dissipative Particle Dynamics . . . . . 275--281
A. Malevanets and
J. M. Yeomans A particle-based algorithm for the
hydrodynamics of binary fluid mixtures 282--288
Anonymous Index . . . . . . . . . . . . . . . . . 289--291
Robert J. Hinde Constructing atom-molecule potential
surfaces from ab initio data: a method
combining quadrature and interpolation 1--11
Marco Guagnelli and
Jochen Heitger SSOR preconditioning in simulations of
the QCD Schrödinger functional . . . . . 12--21
D. Zaharioudakis Calculation of shape-truncation
functions for cubic cells . . . . . . . 22--40
L. A. Sevastianov The probability scheme of constructing
the mathematical model of shadowed
sputtering . . . . . . . . . . . . . . . 41--46
L. A. Sevastianov and
E. P. Zhidkov Analysis of problem in mathematical
model for shadowed sputtering . . . . . 47--53
Anne Bagnérés and
Sophie Durbiano $3$D computation of the demagnetizing
field in a magnetic material of
arbitrary shape . . . . . . . . . . . . 54--74
Tomoyoshi Shimobaba and
Nobuyuki Masuda and
Takashige Sugie and
Satoru Hosono and
Shinobu Tsukui and
Tomoyoshi Ito Special-purpose computer for holography
HORN-3 with PLD technology . . . . . . . 75--82
C.-D. Munz and
P. Ommes and
R. Schneider A three-dimensional finite-volume solver
for the Maxwell equations with
divergence cleaning on unstructured
meshes . . . . . . . . . . . . . . . . . 83--117
J. M. Teuler and
J. C. Gimel A direct parallel implementation of the
Hoshen--Kopelman algorithm for
distributed memory architectures . . . . 118--129
Peter D. Haynes and
Michel Côté Parallel fast Fourier transforms for
electronic structure calculations . . . 130--136
Esmerindo de Sousa Bernardes Killing --- An algebraic computational
package for Lie algebras . . . . . . . . 137--175
Ch. Schlier and
A. Seiter High-order symplectic integration: an
assessment . . . . . . . . . . . . . . . 176--189
J. A. Aguilar-Saavedra Computation of confidence intervals for
Poisson processes . . . . . . . . . . . 190--203
E. S. Cheb-Terrab and
A. D. Roche Abel ODEs: Equivalence and integrable
classes . . . . . . . . . . . . . . . . 204--231
A. Canning and
W. Mannstadt and
A. J. Freeman Parallelization of the FLAPW method . . 233--243
S. Jadach Foam: Multi-dimensional general purpose
Monte Carlo generator with self-adapting
simplical grid . . . . . . . . . . . . . 244--259
S. Jadach and
B. F. L. Ward and
Z. W\kas The precision Monte Carlo event
generator KK for two-fermion final
states in $ e^+ e^- $ collisions . . . . 260--325
Anonymous Index . . . . . . . . . . . . . . . . . 329--330
Anonymous Index . . . . . . . . . . . . . . . . . 331--331
Ugo Galvanetto Numerical computation of Lyapunov
exponents in discontinuous maps
implicitly defined . . . . . . . . . . . 1--9
Yong-Hoon Kim and
In-Ho Lee and
Richard M. Martin Object-oriented construction of a
multigrid electronic-structure code with
Fortran 90 . . . . . . . . . . . . . . . 10--25
Wenchien Chou and
Ryoji Matsumoto and
Fumiko Tajima Simulational modeling of time-domain
magnetic induction using parallel
computational schemes: (I) in the
Cartesian coordinates . . . . . . . . . 26--40
M. Çi\vzek and
J. Horá\vcek and
H.-D. Meyer Schwinger--Lanczos algorithm for
calculation of off-shell $T$-matrix
elements and Wynn's epsilon algorithm 41--51
G. Avdelas and
T. E. Simos and
J. Vigo-Aguiar An embedded exponentially-fitted
Runge--Kutta method for the numerical
solution of the Schrödinger equation and
related periodic initial-value problems 52--67
T. Ishikawa and
Y. Ohtsuka and
M. Matsunami A special purpose computer for diffusion
equations . . . . . . . . . . . . . . . 68--77
Andrey Omeltchenko and
Timothy J. Campbell and
Rajiv K. Kalia and
Xinlian Liu and
Aiichiro Nakano and
Priya Vashishta Scalable I/O of large-scale molecular
dynamics simulations: a data-compression
algorithm . . . . . . . . . . . . . . . 78--85
Jialin Hong and
Ying Liu Numerical simulation of periodic and
quasiperiodic solutions for
nonautonomous Hamiltonian systems via
the scheme preserving weak invariance 86--94
A. Strandlie and
J. Wroldsen and
R. Frühwirth and
B. Lillekjendlie Particle tracks fitted on the Riemann
sphere . . . . . . . . . . . . . . . . . 95--108
T. E. Simos and
P. S. Williams A P-stable hybrid exponentially-fitted
method for the numerical integration of
the Schrödinger equation . . . . . . . . 109--119
M. Klintenberg and
S. E. Derenzo and
M. J. Weber Accurate crystal fields for embedded
cluster calculations . . . . . . . . . . 120--128
S. F. C. O'Rourke and
D. M. McSherry and
D. S. F. Crothers ION-ATOM/NEON --- Calculation of
ionization cross sections by fast ion
impact for neutral target atoms ranging
from lithium to neon . . . . . . . . . . 129--141
Longyu Tong and
Michael Nolan and
Tongwei Cheng and
J. C. Greer A Monte Carlo configuration generation
computer program for the calculation of
electronic states of atoms, molecules,
and quantum dots . . . . . . . . . . . . 142--163
J. Dobaczewski and
J. Dudek Solution of the Skyrme--Hartree--Fock
equations in the Cartesian deformed
harmonic-oscillator basis. (III) HFODD
(v1.75r): a new version of the program 164--186
D. R. Flower and
G. Bourhis and
J.-M. Launay Molcol: a program for solving atomic and
molecular collision problems . . . . . . 187--201
D. W. Busby and
P. G. Burke and
V. M. Burke and
C. J. Noble and
N. S. Scott and
I. T. A. Spence HBrowse: a GRACE tool for browsing
$R$-matrix $H$-files . . . . . . . . . . 202--224
Masanori Matsuda and
Junichi Nagata and
Hiro Yoshino and
Yutaka Yoshino PANN: Partial-wave analysis of
nucleon-nucleon scattering in
wide-energy region . . . . . . . . . . . 225--263
Masanori Matsuda and
Junichi Nagata and
Hiro Yoshino and
Yutaka Yoshino PAPH: Partial-wave analysis of
$p$--$^3$He scattering . . . . . . . . . 264--288
Anonymous Index . . . . . . . . . . . . . . . . . 291--293
Anonymous Index . . . . . . . . . . . . . . . . . 294--294
Hans De Raedt and
Anthony H. Hams and
Kristel Michielsen and
Koen De Raedt Quantum Computer Emulator . . . . . . . 1--20
Frank E. Harris Algebraic reduction in discrete
light-cone quantized electrodynamics
using Maple V . . . . . . . . . . . . . 21--29
Heinz-Peter Breuer and
Uwe Dorner and
Francesco Petruccione Numerical integration methods for
stochastic wave function equations . . . 30--43
Masato Ida An improved unified solver for
compressible and incompressible fluids
involving free surfaces. Part I.
Convection . . . . . . . . . . . . . . . 44--65
N. Sanna Vector spherical harmonics: Concepts and
applications to the single centre
expansion method . . . . . . . . . . . . 66--83
Alberto Colasanti and
Giovanni Guida and
Annamaria Kisslinger and
Raffaele Liuzzi and
Maria Quarto and
Patrizia Riccio and
Giuseppe Roberti and
Fulvia Villani Multiple processor version of a Monte
Carlo code for photon transport in
turbid media . . . . . . . . . . . . . . 84--93
K. Michielsen and
H. De Raedt Morphological image analysis . . . . . . 94--103
Pau Molin\`as-Mata and
Patrici Molin\`as-Mata Electron resonances and Savitzky--Golay
methods: How can the tunneling current
be properly calculated? . . . . . . . . 104--109
M. N. Mazziotta A Monte Carlo code for full simulation
of a transition radiation detector . . . 110--123
M. Tentyukov and
J. Fleischer A Feynman diagram analyzer DIANA . . . . 124--141
N. P. Kirk and
J. N. L. Connor and
C. A. Hobbs An adaptive contour code for the
numerical evaluation of the oscillatory
cuspoid canonical integrals and their
derivatives . . . . . . . . . . . . . . 142--165
S. Wolf and
Th. Henning Accelerated self-consistent radiative
transfer based on the Monte Carlo method 166--188
N. Stefanou and
V. Yannopapas and
A. Modinos MULTEM 2: a new version of the program
for transmission and band-structure
calculations of photonic crystals . . . 189--196
François Ligni\`eres and
Francesco Califano and
André Mangeney Numerical simulations of a mixed layer
in a stably stratified fluid . . . . . . 197--223
Susanna Abrahamyan and
José Gómez-Valdés Towards an object-oriented framework for
the advection-diffusion model . . . . . 224--231
André Fachat and
Karl Heinz Hoffmann and
Astrid Franz Simulated annealing with Threshold
Accepting or Tsallis statistics . . . . 232--240
J. Apostolakis and
S. Giani and
M. Maire and
A. V. Bagulya and
V. M. Grichine Parameterization models for X-ray
transition radiation in the GEANT4
package . . . . . . . . . . . . . . . . 241--250
R. Gunnella and
F. Solal and
D. Sébilleau and
C. R. Natoli MSPHD: a full multiple scattering code
for low energy photoelectron diffraction 251--266
A. Ringwald and
F. Schrempp QCDINS $ 2.0 $- A Monte Carlo generator
for instanton-induced processes in
deep-inelastic scattering . . . . . . . 267--305
Aggeliki Kanaki and
Costas G. Papadopoulos HELAC: a package to compute electroweak
helicity amplitudes . . . . . . . . . . 306--315
Anonymous Index . . . . . . . . . . . . . . . . . 317--318
Anonymous Index . . . . . . . . . . . . . . . . . 319--320
Anonymous Index . . . . . . . . . . . . . . . . . 321--321
André van Hameren and
Ronald Kleiss A fast algorithm for generating a
uniform distribution inside a
high-dimensional polytope . . . . . . . 1--5
Tetsuya Takaishi Choice of integrator in the hybrid Monte
Carlo algorithm . . . . . . . . . . . . 6--17
Ji Qiang and
Robert D. Ryne and
Salman Habib Fortran implementation of
object-oriented design in parallel beam
dynamics simulations . . . . . . . . . . 18--33
A. Strandlie and
R. Frühwirth Adaptive multitrack fitting . . . . . . 34--42
K. G. Chetyrkin and
J. H. Kühn and
M. Steinhauser RunDec: a Mathematica package for
running and decoupling of the strong
coupling and quark masses . . . . . . . 43--65
Flavio Carsughi and
Achille Giacometti and
Domenico Gazzillo Small-angle scattering data analysis for
dense polydisperse systems: the FLAC
program . . . . . . . . . . . . . . . . 66--75
Johannes Blümlein Analytic continuation of Mellin
transforms up to two-loop order . . . . 76--104
B. Pötter JetViP 2.1: the hbook version . . . . . 105--118
L. Sarkadi A Fortran program to calculate the
matrix elements of the Coulomb
interaction involving hydrogenic wave
functions . . . . . . . . . . . . . . . 119--127
D. Skouteris and
J. F. Castillo and
D. E. Manolopoulos ABC: a quantum reactive scattering
program . . . . . . . . . . . . . . . . 128--135
R. Tafirout and
G. Azuelos Erratum to: ``EXOTIC --- A heavy fermion
and excited fermion Monte Carlo
generator for $ e^+ e^- $ physics''
[Computer Physics Communication 126
(2000) 244--260] . . . . . . . . . . . . 136--136
Lin-Wang Wang Book Review: \booktitleQuantum Wells,
Wires and Dots: by Paul Harrison; Wiley
(UK), 480 pp.; ISBN 0-471-98495-7 . . . 137--138
R. Kenzler and
F. Eurich and
P. Maass and
B. Rinn and
J. Schropp and
E. Bohl and
W. Dieterich Phase separation in confined geometries:
Solving the Cahn--Hilliard equation with
generic boundary conditions . . . . . . 139--157
Yi-Tian Gao and
Bo Tian Generalized hyperbolic-function method
with computerized symbolic computation
to construct the solitonic solutions to
nonlinear equations of mathematical
physics . . . . . . . . . . . . . . . . 158--164
A. Cruz and
J. Pech and
A. Tarancón and
P. Téllez and
C. L. Ullod and
C. Ungil SUE: a special purpose computer for spin
glass models . . . . . . . . . . . . . . 165--176
L. Gr. Ixaru and
B. Paternoster A Gauss quadrature rule for oscillatory
integrands . . . . . . . . . . . . . . . 177--188
Jan M. L. Martin and
Charles W. Bauschlicher, Jr. and
Alessandra Ricca On the integration accuracy in molecular
density functional theory calculations
using Gaussian basis sets . . . . . . . 189--201
Ernst Joachim Weniger Irregular input data in convergence
acceleration and summation processes:
General considerations and some special
Gaussian hypergeometric series as model
problems . . . . . . . . . . . . . . . . 202--228
D. Bardin and
M. Bilenky and
P. Christova and
M. Jack and
L. Kalinovskaya and
A. Olchevski and
S. Riemann and
T. Riemann ZFITTER v.6.21: a semi-analytical
program for fermion pair production in $
e^+ e^- $ annihilation . . . . . . . . . 229--395
Sverker Edvardsson and
Daniel Åberg An atomic program for energy levels of
equivalent electrons: lanthanides and
actinides . . . . . . . . . . . . . . . 396--406
Anonymous Index . . . . . . . . . . . . . . . . . 407--408
Anonymous Index . . . . . . . . . . . . . . . . . 409--410
Anonymous Index . . . . . . . . . . . . . . . . . 411--411
A. Doicu and
Yu. Eremin and
T. Wriedt Scattering of evanescent waves by a
particle on or near a plane surface . . 1--10
Josep Ferré-Borrull and
Salvador Bosch On the integration of highly oscillatory
functions: Algorithms based on critical
points and semi-periodic zones in scalar
diffraction . . . . . . . . . . . . . . 11--22
Jaroslav Ilnytskyi and
Mark R. Wilson A domain decomposition molecular
dynamics program for the simulation of
flexible molecules with an arbitrary
topology of Lennard-Jones and/or
Gay--Berne sites . . . . . . . . . . . . 23--32
C. K. Gan and
P. D. Haynes and
M. C. Payne Preconditioned conjugate gradient method
for the sparse generalized eigenvalue
problem in electronic structure
calculations . . . . . . . . . . . . . . 33--40
Matt Dobbs and
Jòrgen Beck Hansen The HepMC C++ Monte Carlo event record
for High Energy Physics . . . . . . . . 41--46
G. Danese and
I. De Lotto and
A. De Marchi and
F. Leporati and
T. Bellini and
M. Buscaglia and
F. Mantegazza Monte Carlo Metropolis simulation of
interacting anisotropic polarizable
spins on a lattice . . . . . . . . . . . 47--57
G. Vlad and
S. Briguglio and
G. Fogaccia and
B. Di Martino Gridless finite-size-particle plasma
simulation . . . . . . . . . . . . . . . 58--77
D. J. Langridge and
J. F. Hart and
S. Crampin Ewald summation technique for
one-dimensional charge distributions . . 78--85
Gediminas Gaigalas and
Stephan Fritzsche Calculation of reduced coefficients and
matrix elements in $ j j $-coupling . . 86--96
Alfredo Aguado and
César Tablero and
Miguel Paniagua Global fit of ab initio potential
energy surfaces: II.1. Tetraatomic
systems ABCD . . . . . . . . . . . . . . 97--109
E. Frlez and
B. K. Wright and
D. Pocani\'c \tt optics: general-purpose scintillator
light response simulation code . . . . . 110--135
Hamid Kharraziha and
Stefano Moretti Erratum to: ``The Metropolis algorithm
for on-shell four-momentum phase
space'': [Computer Physics Commun. \bf
127 (2000) 242--260] . . . . . . . . . . 136--138
F. Csikor and
Z. Fodor and
P. Hegedüs and
V. K. Horváth and
S. D. Katz and
A. Piróth The PMS project: Poor man's
supercomputer . . . . . . . . . . . . . 139--149
M. Dupuis New integral transforms for molecular
properties and application to a
massively parallel GIAO-SCF
implementation . . . . . . . . . . . . . 150--166
P. E. Falloon and
J. B. Wang Electronic wave propagation with
Mathematica . . . . . . . . . . . . . . 167--182
L. Chacón and
D. C. Barnes and
D. A. Knoll and
G. H. Miley A bounce-averaged ion Fokker--Planck
code for Penning fusion devices . . . . 183--208
T. Nutaro and
S. Riyavong and
D. Ruffolo Application of a generalized total
variation diminishing algorithm to
cosmic ray transport and acceleration 209--222
R. Kuhn and
F. Krauss and
B. Iványi and
G. Soff APACIC++ 1.0 A PArton Cascade In C++ . . 223--266
L. Gr. Ixaru A comment on ``Reliable operations on
oscillatory functions'': [Comput. Phys.
Commun. \bf 125 (2000) 127] . . . . . . 267--268
Gh. Adam and
S. Adam Reply to the ``Comment on Reliable
operations on oscillatory functions'' by
Dr. Ixaru: [Comput. Phys. Commun. \bf
134 (2001)] . . . . . . . . . . . . . . 269--272
Jean-Christophe Desplat and
Ignacio Pagonabarraga and
Peter Bladon LUDWIG: a parallel lattice-Boltzmann
code for complex fluids . . . . . . . . 273--290
M. Nurhuda and
F. H. M. Faisal and
U. Schwengelbeck Eigenstate expansion method for
simulations of non-perturbative
multiphoton processes . . . . . . . . . 291--306
S. Seeger and
A. Franz and
C. Schulzky and
K. H. Hoffmann Random walks on finitely ramified
Sierpinski carpets . . . . . . . . . . . 307--316
I. A. Ivanov and
J. Mitroy Treatment of the Coulomb singularity in
momentum space calculations . . . . . . 317--320
P. Bogdanovich and
R. Karpuskien\.e Numerical methods of the preliminary
evaluation of the role of admixed
configurations in atomic calculations 321--334
Matthias Steinhauser MATAD: a program package for the
computation of MAssive TADpoles . . . . 335--364
Marc Bertini and
Leif Lönnblad and
Torbjörn Sjöstrand Pythia version 7-0.0 --- a
proof-of-concept version . . . . . . . . 365--391
V. Blum and
K. Heinz Fast LEED intensity calculations for
surface crystallography using Tensor
LEED . . . . . . . . . . . . . . . . . . 392--425
Anonymous Contents to volume 134 . . . . . . . . . 426--428
Anonymous Author index to volume 134 . . . . . . . 429--431
Anonymous Program index to volume 134 . . . . . . 432--432
J. E. Pask and
B. M. Klein and
P. A. Sterne and
C. Y. Fong Finite-element methods in
electronic-structure theory . . . . . . 1--34
Z. D. Genchev Effect of colored noise on an overdamped
Josephson junction . . . . . . . . . . . 35--39
Marc Souaille and
Beno\^\it Roux Extension to the weighted histogram
analysis method: combining umbrella
sampling with free energy calculations 40--57
Rebecca M. Darlington and
Thomas L. McAbee and
Garry Rodrigue A study of ALE simulations of
Rayleigh--Taylor instability . . . . . . 58--73
A. Jaun and
K. Blomqvist and
A. Bondeson and
T. Rylander Iterative solution of global
electromagnetic wavefields with finite
elements . . . . . . . . . . . . . . . . 74--81
R. Sanchez and
S. P. Hirshman and
H. V. Wong Improved magnetic coordinate
representation for ideal ballooning
stability calculations with the COBRA
code . . . . . . . . . . . . . . . . . . 82--92
Quan Ming Lu and
Dong Sheng Cai Implementation of parallel plasma
particle-in-cell codes on PC cluster . . 93--104
Nuno R. Pinhão PLASMAKIN: a chemical kinetics library
for plasma physics modeling . . . . . . 105--131
Anonymous Publisher's Announcement . . . . . . . . ix--ix
Chun-yu Ma and
Danny Summers A numerical scheme for Fokker--Planck
wave-particle interaction equations in
plasmas . . . . . . . . . . . . . . . . 133--143
T. Zh. Esirkepov Exact charge conservation scheme for
Particle-In-Cell simulation with an
arbitrary form-factor . . . . . . . . . 144--153
H. Mizoe and
Seong Y. Yoon and
M. Josho and
T. Yabe Numerical simulation on snow melting
phenomena by CIP method . . . . . . . . 154--166
Aristidis Likas Probability density estimation using
artificial neural networks . . . . . . . 167--175
Jai Sam Kim and
Kyungsoo Lee The earth regeneration effect of solar
neutrinos: a numerical treatment with
three active neutrino flavors . . . . . 176--189
V. P. Likhachev and
J. D. T. Arruda-Neto and
M. N. Martins and
F. Garcia and
J. Mesa and
O. Rodriguez and
V. B. Shostak and
I. Evseev and
S. A. Paschuk and
H. R. Schelin and
V. V. Denyak OMEGA code: calculation of the
geometrical parameters of detection
systems . . . . . . . . . . . . . . . . 190--198
A. Hartgers and
J. van Dijk and
J. Jonkers and
J. A. M. van der Mullen CRModel: a general collisional radiative
modeling code . . . . . . . . . . . . . 199--218
G. Gaigalas and
S. Fritzsche and
B. Fricke Maple procedures for the coupling of
angular momenta. III. Standard
quantities for evaluating many-particle
matrix elements . . . . . . . . . . . . 219--237
Torbjörn Sjöstrand and
Patrik Edén and
Christer Friberg and
Leif Lönnblad and
Gabriela Miu and
Stephen Mrenna and
Emanuel Norrbin High-energy-physics event generation
with Pythia 6.1 . . . . . . . . . . . . 238--259
C.-D. Munz and
P. Ommes and
R. Schneider Erratum to: ``A three-dimensional
finite-volume solver for the Maxwell
equations with divergence cleaning on
unstructured meshes'' [Computer Physics
Communications \bf 130 (2000) 83--117] 260--260
Gh. Adam and
S. Adam Increasing reliability of Gauss--Kronrod
quadrature by Eratosthenes' sieve method 261--277
Gennady V. Mil'nikov and
Hiroki Nakamura and
Jiri Horácek Stable and efficient evaluation of
Green's function in scattering problem 278--292
R. H. Judge and
Dennis J. Clouthier AsyrotWin: a 32-bit Windows version of
Asyrot, a program for the analysis of
high resolution singlet-singlet band
spectra of asymmetric tops . . . . . . . 293--311
Çetin Savkli Nonperturbative evaluation of the
few-body states for scalar $ \chi^2 \phi
$ interaction . . . . . . . . . . . . . 312--328
N. A. W. Holzwarth and
A. R. Tackett and
G. E. Matthews A Projector Augmented Wave (PAW) code
for electronic structure calculations,
Part I: atompaw for generating
atom-centered functions . . . . . . . . 329--347
A. R. Tackett and
N. A. W. Holzwarth and
G. E. Matthews A Projector Augmented Wave (PAW) code
for electronic structure calculations,
Part II: pwpaw for periodic solids in a
plane wave basis . . . . . . . . . . . . 348--376
Anonymous Contents to volume 135 . . . . . . . . . 377--379
Anonymous Author index to volume 135 . . . . . . . 380--382
Anonymous Program index to volume 135 . . . . . . 383--384
Roberto Frezzotti and
Martin Hasenbusch and
Ulli Wolff and
Jochen Heitger and
Karl Jansen Comparative benchmarks of full QCD
algorithms . . . . . . . . . . . . . . . 1--13
G. Avdelas and
A. Konguetsof and
T. E. Simos A generator of hybrid explicit methods
for the numerical solution of the
Schrödinger equation and related problems 14--28
Ida M. B. Nielsen and
Curtis L. Janssen A novel pseudospectral Fourier method
for solving Poisson's equation for a
solute in a non-uniform dielectric . . . 29--36
Bob Bacus and
V. G. J. Rodgers The image of self-intersecting QCD
strings in four dimensions . . . . . . . 37--53
U. Becciani and
V. Antonuccio-Delogu Are you ready to FLY in the universe? A
multi-platform $N$-body tree code for
parallel supercomputers . . . . . . . . 54--63
S. P. Benham and
J. M. Thijssen and
J. E. Inglesfield Self-consistent finite-difference
electronic structure calculations . . . 64--76
Steffen Hein Gauge techniques in time and frequency
domain TLM . . . . . . . . . . . . . . . 77--89
E. Poli and
A. G. Peeters and
G. V. Pereverzev TORBEAM, a beam tracing code for
electron-cyclotron waves in tokamak
plasmas . . . . . . . . . . . . . . . . 90--104
Keijiro Tobimatsu and
Masataka Igarashi Precise formula for the radiative Bhabha
scattering . . . . . . . . . . . . . . . 105--116
E. M. S. Ribeiro and
L. E. Machado and
M.-T. Lee and
L. M. Brescansin Application of the method of continued
fractions to electron scattering by
polyatomic molecules . . . . . . . . . . 117--125
Tetsuo Abe GRAPE-Dilepton (Version 1.1): a
generator for dilepton production in $ e
p $ collisions . . . . . . . . . . . . . 126--147
F. A. Berends and
C. G. Papadopoulos and
R. Pittau NEXTCALIBUR --- A four-fermion generator
for electron-positron collisions . . . . 148--172
S. James Gates, Jr. and
B. Radak and
V. G. J. Rodgers Irreducible decomposition of products of
$ 10 $D chiral sigma matrices . . . . . 173--181
M. W. Cadilhe and
J. J. Soares Neto A finite element algorithm using linear
tetrahedral elements for quantum
mechanical calculations . . . . . . . . 183--197
Kyle Cranmer Kernel estimation in high-energy physics 198--207
T. M. Solov'eva Numerical calculation of the energy
spectrum of a two-fermion system . . . . 208--211
M. Ratto and
S. Tarantola and
A. Saltelli Sensitivity analysis in model
calibration: GSA--GLUE approach . . . . 212--224
Zhiliang Ren and
Zhidong Deng and
Dianxun Shuai and
Zengqi Sun Analysis of power spectrum and 1/f type
power law in a complex computer network
model . . . . . . . . . . . . . . . . . 225--235
Roman Grodzicky A computer program written in
Mathematica for calculating H$_2$
quasicrystals and their diffraction
patterns . . . . . . . . . . . . . . . . 236--249
Y. Kurihara and
J. Fujimoto and
T. Ishikawa and
Y. Shimizu and
T. Munehisa grc $ \nu \nu \gamma $: Event generator
for the single- and double-photon
emission associated with neutrino
pair-production . . . . . . . . . . . . 250--268
Amparo Gil and
Javier Segura CA3D: a Monte Carlo code to simulate
$3$D buffered diffusion of ions in
sub-membrane domains . . . . . . . . . . 269--293
Zhigang Gong and
Ladislav Zejda and
Werner Däppen and
Josep M. Aparicio Generalized Fermi--Dirac functions and
derivatives: properties and evaluation 294--309
R. Strange and
F. R. Manby and
P. J. Knowles Automatic code generation in density
functional theory . . . . . . . . . . . 310--318
A. I. Silva and
S. M. Viegas PopRatio: a program to calculate atomic
level populations in astrophysical
plasmas . . . . . . . . . . . . . . . . 319--333
A. Alvarez and
A. Orfila and
J. Tintore DARWIN: An evolutionary program for
nonlinear modeling of chaotic time
series . . . . . . . . . . . . . . . . . 334--349
Anonymous Contents to volume 136 . . . . . . . . . 351--352
Anonymous Author index to volume 136 . . . . . . . 353--355
Anonymous Program index to volume 136 . . . . . . 356--357
T. B. Grimley and
J. E. Inglesfield The Collaborative Computational Project
on surfaces: CCP3 . . . . . . . . . . . 1--3
A. Wander A new modular low energy electron
diffraction package --- DL\_LEED . . . . 4--11
D. K. Saldin and
R. Harder and
H. Vogler and
W. Moritz and
I. K. Robinson Solving the structure completion problem
in surface crystallography . . . . . . . 12--24
B. G. Searle DL Visualize . . . . . . . . . . . . . . 25--32
P. J. Rous Theory of negative ion formation at
surfaces . . . . . . . . . . . . . . . . 33--58
N. M. Harrison First principles simulation of surfaces
and interfaces . . . . . . . . . . . . . 59--73
K. Doll Implementation of analytical
Hartree--Fock gradients for periodic
systems . . . . . . . . . . . . . . . . 74--88
J. E. Inglesfield Embedding at surfaces . . . . . . . . . 89--107
P. García-González and
R. W. Godby GW self-energy calculations for surfaces
and interfaces . . . . . . . . . . . . . 108--122
Maziar Nekovee and
J. M. Pitarke Recent progress in the computational
many-body theory of metal surfaces . . . 123--142
G. P. Srivastava Geometry, electrons, phonons and
reactions on Si(001) surfaces . . . . . 143--162
J. R. Trail and
M. C. Graham and
D. M. Bird Electronic damping of molecular motion
at metal surfaces . . . . . . . . . . . 163--173
A. Y. Lozovoi and
A. Alavi and
M. W. Finnis Surface energy and the early stages of
oxidation of NiAl(110) . . . . . . . . . 174--194
J. A. Blackman and
P. A. Mulheran Growth of clusters on surfaces: Monte
Carlo simulations and scaling properties 195--205
C. F. Sanz-Navarro and
Roger Smith Numerical calculations using the
hyper-molecular dynamics simulation
method . . . . . . . . . . . . . . . . . 206--221
Anonymous Author Index . . . . . . . . . . . . . . 223--224
CCP3 Working Group and
Simon Crampin and
John Inglesfield Preface . . . . . . . . . . . . . . . . xi--xi
Sascha Kempf and
Susanne Pfalzner An effective algorithm for simulating
diffusion-driven aggregation . . . . . . 225--235
L. A. T. Bauerdick and
Adrian Fox-Murphy and
Tobias Haas and
Stefan Stonjek and
Enrico Tassi Event indexing systems for efficient
selection and analysis of HERA data . . 236--246
Costas G. Papadopoulos PHEGAS: a phase-space generator for
automatic cross-section computation . . 247--254
D. R. Bowler and
T. Miyazaki and
M. J. Gillan Parallel sparse matrix multiplication
for linear scaling electronic structure
calculations . . . . . . . . . . . . . . 255--273
Feng Xiao Implementations of multi-fluid
hydrodynamic simulations on distributed
memory computer with a fully
parallelizable preconditioned Bi-CGSTAB
method . . . . . . . . . . . . . . . . . 274--285
Takayuki Umeda and
Yoshiharu Omura and
Hiroshi Matsumoto An improved masking method for absorbing
boundaries in electromagnetic particle
simulations . . . . . . . . . . . . . . 286--299
K. A. Ritley and
M. Schlestein and
H. Dosch DataScan: An extensible program for
image analysis in Java . . . . . . . . . 300--311
S. I. Golubov and
Xiangli Liu and
Hanchen Huang and
C. H. Woo GFCUBHEX: Program to calculate elastic
Green's functions and displacement
fields for applications in atomistic
simulations of defects in cubic and HCP
crystals . . . . . . . . . . . . . . . . 312--324
Martin Kröger and
Markus Hütter and
Hans Christian Öttinger Symbolic test of the Jacobi identity for
given generalized `Poisson' bracket . . 325--340
U. V. Waghmare and
Hanchul Kim and
I. J. Park and
Normand Modine and
P. Maragakis and
Efthimios Kaxiras HARES: an efficient method for
first-principles electronic structure
calculations of complex systems . . . . 341--360
A. Natarajan and
N. Mohankumar An accurate method for the generalized
Fermi--Dirac integral . . . . . . . . . 361--365
A. G. Soloviev and
A. N. Sosnin and
E. P. Zhidkov Improving the accuracy of estimation of
unknown random variable probability
density over empirical data . . . . . . 366--379
E. Pohn and
M. Shoucri and
G. Kamelander Study of the formation of a charge
separation at a plasma edge. Part I. The
numerical integration of a Vlasov
equation possessing an invariant . . . . 380--395
E. Pohn and
M. Shoucri and
G. Kamelander Study of the formation of a charge
separation at a plasma edge. Part II.
Comparison between three different
interpolation methods for the solution
of the kinetic Vlasov equation . . . . . 396--404
O. Rodríguez and
F. García and
H. Dias and
J. Mesa and
J. D. T. Arruda-Neto and
E. Garrote and
F. Guzmán LINDEN: Code for level density
calculations of deformed nuclei using
Lipkin--Nogami projectors in the BCS
approach . . . . . . . . . . . . . . . . 405--414
Didier Lemoine and
Bret Jackson Quantum wave packet approach to the
Eley--Rideal reactive scattering between
a gas phase atom and an adsorbate . . . 415--426
Nicholas Brealey Book Review: \booktitleC++ and
Object-Oriented Numeric Computing for
Scientists and Engineers . . . . . . . . 427--428
Anonymous Contents to volume 137 . . . . . . . . . 429--431
Anonymous Author Index . . . . . . . . . . . . . . 433--435
Anonymous Program index to volume 137 . . . . . . 437--438
Phil Burke On the retirement of Charlotte Froese
Fischer and Ian Grant . . . . . . . . . 1--1
A. Hibbert Charlotte Froese Fischer --- some
personal reflections . . . . . . . . . . 2--9
Jacek Karwowski Ian P. Grant, FRS --- a biographical
note . . . . . . . . . . . . . . . . . . 10--17
Ji Qiang and
Robert D. Ryne Parallel $3$D Poisson solver for a
charged beam in a conducting pipe . . . 18--28
F. D. Colavecchia and
G. Gasaneo and
J. E. Miraglia Numerical evaluation of Appell's $ F_1 $
hypergeometric function . . . . . . . . 29--43
Tomoyoshi Shimobaba and
Tomoyoshi Ito An efficient computational method
suitable for hardware of
computer-generated hologram with phase
computation by addition . . . . . . . . 44--52
M. N. Vrahatis and
A. E. Perdiou and
V. S. Kalantonis and
E. A. Perdios and
K. Papadakis and
R. Prosmiti and
S. C. Farantos Application of the Characteristic
Bisection Method for locating and
computing periodic orbits in molecular
systems . . . . . . . . . . . . . . . . 53--68
R. Krivec and
V. B. Mandelzweig Numerical investigation of
quasilinearization method in quantum
mechanics . . . . . . . . . . . . . . . 69--79
S. I. Zaki Solitary waves of the splitted RLW
equation . . . . . . . . . . . . . . . . 80--91
Carlos F. Bunge Fast eigensolver for dense
real-symmetric matrices . . . . . . . . 92--100
T. Plewa and
E. Müller AMRA: An Adaptive Mesh Refinement
hydrodynamic code for astrophysics . . . 101--127
G. Petrella and
L. Cassidei and
F. Ciriaco Light particle scattering diffraction
from surfaces in the sudden
approximation . . . . . . . . . . . . . 128--135
Adrian Doicu and
Thomas Wriedt Null-field method with discrete sources
to electromagnetic scattering from
layered scatterers . . . . . . . . . . . 136--142
Shuji Ogata and
Elefterios Lidorikis and
Fuyuki Shimojo and
Aiichiro Nakano and
Priya Vashishta and
Rajiv K. Kalia Hybrid
finite-element/molecular-dynamics/electronic-density-functional approach to materials simulations on parallel computers 143--154
Peter Güntert and
Kurt Wüthrich Sampling of conformation space in
torsion angle dynamics calculations . . 155--169
Marcin Krupski and
Pawel B. Sczaniecki Phase lag in the amplitude modulated
magnetic resonance . . . . . . . . . . . 170--174
Wenchien Chou and
Ryoji Matsumoto and
Fumiko Tajima Simulational modeling of time-domain
magnetic induction using parallel
computational schemes: (II) in the
spherical coordinates . . . . . . . . . 175--191
Frank Eisenmenger and
Ulrich H. E. Hansmann and
Shura Hayryan and
Chin-Kun Hu [SMMP] A modern package for simulation
of proteins . . . . . . . . . . . . . . 192--212
G. Colonna and
M. Tuttafesta and
D. Giordano Numerical methods to solve Euler
equations in one-dimensional steady
nozzle flow . . . . . . . . . . . . . . 213--221
Eduard P. Kontar Numerical consideration of quasilinear
electron cloud dynamics in plasma . . . 222--233
Wai-kit Wong and
Lap-piu Lee and
Kwok-wo Wong A modified chaotic cryptographic method 234--236
David M. Matheu and
Thomas A. Lada II and
William H. Green and
Anthony M. Dean and
Jeffrey M. Grenda Rate-based screening of
pressure-dependent reaction networks . . 237--249
Miroslawa Rak and
Marek Izdebski and
Andrzej Brozi Kinetic Monte Carlo study of crystal
growth from solution . . . . . . . . . . 250--263
Wojciech Florek Operator matrices generation:
Combinatorial structures in finite spin
models . . . . . . . . . . . . . . . . . 264--280
P. L. de Andres and
D. A. King Anisotropic and anharmonic effects
through the $t$-matrix for Low-Energy
Electron Diffraction (TMAT V1.1) . . . . 281--301
Anonymous Contents to volume 138 . . . . . . . . . 303--305
Anonymous Author index to volume 138 . . . . . . . 306--308
Anonymous Program index to volume 138 . . . . . . 309--309
G. Chillemi and
M. Rosati and
N. Sanna The role of computer technology in
applied computational chemical-physics 1--19
Fabrizio Cleri and
Alessandro Marongiu and
Vittorio Rosato Dedicated hardware for linearly-scaling
algorithms in condensed-matter physics 20--33
P. F. Spinnato and
G. D. van Albada and
P. M. A. Sloot Performance prediction of $N$-body
simulations on a hybrid architecture . . 34--44
Junichiro Makino GRAPE Project: special-purpose computers
for many-body simulations . . . . . . . 45--54
R. Tripiccione LGT simulations on APE machines . . . . 55--63
Karl-Heinz Zimmermann and
Wolfgang Achtziger Optimal piecewise linear schedules for
LSGP- and LPGS-decomposed array
processors via quadratic programming . . 64--89
Andreas Popp and
Karl-Heinz Zimmermann On loop transformations of nested loops
with affine dependencies . . . . . . . . 90--103
Paolo Faraboschi The design of a technology platform for
custom VLIW embedded processors . . . . 104--108
Alessandro Marongiu and
Paolo Palazzari Automatic implementation of affine
iterative algorithms: Design flow and
communication synthesis . . . . . . . . 109--131
Pier S. Paolucci and
Philippe Kajfasz and
Philippe Bonnot and
Bernard Candaele and
Daniel Maufroid and
Elena Pastorelli and
Andrea Ricciardi and
Yves Fusella and
Eugenio Guarino mAgic-FPU and MADE: a customizable VLIW
core and the modular VLIW processor
architecture description environments 132--143
Mauro Olivieri Overview on a formal model of
architecture/circuit trade-offs for the
implementation of fast processors . . . 144--150
Anonymous Author index . . . . . . . . . . . . . . 151--152
Anonymous Contents . . . . . . . . . . . . . . . . xiii--xiv
Paolo Palazzari and
Vittorio Rosato Preface . . . . . . . . . . . . . . . . xi--xii
A. Charalambopoulos and
D. I. Fotiadis and
D. Kourounis and
C. V. Massalas On the solution of boundary value
problems using spheroidal eigenvectors 153--171
Richard Marchand and
Mathieu Charbonneau-Lefort and
Mathieu Dumberry and
Benoit Pronovost ARANEA, a program for generating
unstructured triangular meshes with a
Java Graphics User Interface . . . . . . 172--185
Amparo Gil and
Javier Segura DTORH3 2.0: a new version of a computer
program for the evaluation of toroidal
harmonics . . . . . . . . . . . . . . . 186--191
Allan D. Wittkopf and
Gregory J. Reid Fast differential elimination in C: The
CDiffElim environment . . . . . . . . . 192--217
Osamu Matsuoka and
Yoshihiro Watanabe An atomic Dirac--Fock--Roothaan program 218--234
B. Z. Yanchitsky and
A. N. Timoshevskii Determination of the space group and
unit cell for a periodic solid . . . . . 235--242
Carlos F. Bunge Fast exponentials . . . . . . . . . . . 243--245
Thomas Draeger A Macsyma program for computing analytic
Clebsch--Gordan coefficients of $ {\rm
U}(3) \supset {\rm SO}(3) $ . . . . . . 246--262
Gediminas Gaigalas and
Stephan Fritzsche and
Ian P. Grant Program to calculate pure angular
momentum coefficients in $ j j
$-coupling . . . . . . . . . . . . . . . 263--278
T. Roths and
M. Marth and
J. Weese and
J. Honerkamp A generalized regularization method for
nonlinear ill-posed problems enhanced
for nonlinear regularization terms . . . 279--296
T. Inghoff and
S. Fritzsche and
B. Fricke Maple procedures for the coupling of
angular momenta. IV. Spherical harmonics 297--313
S. Fritzsche and
T. Inghoff and
T. Bastug and
M. Tomaselli Maple procedures for the coupling of
angular momenta. V. Recoupling
coefficients . . . . . . . . . . . . . . 314--326
Anonymous Contents to volume 139 . . . . . . . . . 327--329
Anonymous Author index to volume 139 . . . . . . . 331--333
Anonymous Program index to volume 139 . . . . . . 335--336
Nigel Baker and
Alain Bazan and
Guy Chevenier and
Florida Estrella and
Zsolt Kovacs and
Jean-Marie Le Goff and
Richard McClatchey and
Peter Martin Design patterns for description-driven
systems in High Energy Physics . . . . . 1--12
Anonymous Automatic analysis of CHIMERA
experimental data by means of a
hierarchical pre-attentive neural system 13--20
Irwin Gaines and
Saul Gonzalez and
Sijin Qian Implementation of an object oriented
track reconstruction model into multiple
LHC experiments . . . . . . . . . . . . 21--30
V. Innocente and
L. Silvestris and
D. Stickland and
CMS Software Group CMS software architecture: Software
framework, services and persistency in
high level trigger, reconstruction and
analysis . . . . . . . . . . . . . . . . 31--44
G. Barrand and
I. Belyaev and
P. Binko and
M. Cattaneo and
R. Chytracek and
G. Corti and
M. Frank and
G. Gracia and
J. Harvey and
E. van Herwijnen and
P. Maley and
P. Mato and
S. Probst and
F. Ranjard GAUDI --- A software architecture and
framework for building HEP data
processing applications . . . . . . . . 45--55
Francesco Safai Tehrani The BaBar Prompt Reconstruction manager:
a real life example of a constructive
approach to software development . . . . 56--64
J. P. Wellisch Hadronic shower models in Geant 4 ---
the frameworks . . . . . . . . . . . . . 65--75
V. Fine and
Y. Fisyak and
V. Perevoztchikov and
T. Wenaus The STAR offline framework . . . . . . . 76--81
A. Martin The COMPASS off-line system . . . . . . 82--91
Giovanni Organtini Software tools at the Rome CMS/ECAL
Regional Center . . . . . . . . . . . . 92--101
C. Gaspar and
M. Dönszelmann and
Ph. Charpentier DIM, a portable, light weight package
for information publishing, data
transfer and inter-process communication 102--109
K. Anikeev and
G. Bauer and
I. Furi\'c and
D. Holmgren and
A. Korn and
I. Kravchenko and
M. Mulhearn and
P. Ngan and
Ch. Paus and
A. Rakitin and
R. Rechenmacher and
T. Shah and
P. Sphicas and
K. Sumorok and
S. Tether and
J. Tseng and
F. Wüerthwein Event Builder and Level 3 trigger at the
CDF experiment . . . . . . . . . . . . . 110--116
Anonymous The ALICE DAQ: current status and future
challenges . . . . . . . . . . . . . . . 117--129
G. Antchev and
E. Cano and
S. Cittolin and
S. Erhan and
B. Faure and
D. Gigi and
J. Gutleber and
C. Jacobs and
F. Meijers and
E. Meschi and
A. Ninane and
L. Orsini and
L. Pollet and
A. Racz and
D. Samyn and
N. Sinanis and
W. Schleifer and
P. Sphicas The CMS event builder demonstrator and
results with Myrinet . . . . . . . . . . 130--138
E. Pasqualucci and
KLOE collaboration Process and Data Flow Control in KLOE 139--145
Koen Holtman and
Heinz Stockinger Building a large location table to find
replicas of physics objects . . . . . . 146--152
Youhei Morita and
The MONARC Collaboration Validation of the MONARC simulation
tools . . . . . . . . . . . . . . . . . 153--161
Julian J. Bunn and
Koen Holtman and
Harvey B. Newman and
Richard P. Wilkinson The GIOD Project --- Globally
Interconnected Object Databases . . . . 162--171
A. Amorim and
Vasco Amaral and
Umberto Marconi and
Stefan Steinbeck and
António Tomé and
Vincenzo Vagnoni and
Helmut Wolters and
HERA-B Collaboration The HERA-B database services: for
detector configuration, calibration,
alignment, slow control and data
classification . . . . . . . . . . . . . 172--178
L. Bernardo and
H. Nordberg and
D. Olson and
A. Shoshani and
A. Sim and
A. Vaniachine and
D. Zimmerman and
B. Gibbard and
R. Porter and
T. Wenaus and
D. Malon New capabilities in the HENP Grand
Challenge Storage Access System and its
application at RHIC . . . . . . . . . . 179--188
I. Sfiligoi Data handling in KLOE . . . . . . . . . 189--197
L. Buckley-Geer and
S. Lammel and
M. Leininger and
T. Watts Overview of the CDF Run II data handling
system . . . . . . . . . . . . . . . . . 198--208
T. Ferrari and
A. Ghiselli and
C. Vistoli Quality of services for remote control
in High Energy Physics experiments: a
case study . . . . . . . . . . . . . . . 209--218
A. Ghiselli and
The MONARC Collaboration Distributed applications monitoring at
system and network level . . . . . . . . 219--225
M. Ferraris and
P. Frixione and
S. Squarcia Network oriented radiological and
medical archive . . . . . . . . . . . . 226--232
H. Sato and
Y. Morita Evaluation of Objectivity/AMS on the
wide area network . . . . . . . . . . . 233--238
Jaroslav Antos and
M. Breitung and
Tony Chan and
Paoti Chang and
Yen-Chu Chen and
Troy Dawson and
Jim Fromm and
Lisa Giacchetti and
Tanya Levshina and
Igor Mandrichenko and
Ray Pasetes and
Marilyn Schweitzer and
Karen Shepelak and
Miroslav Siket and
Dane Skow and
Stephen Wolbers and
G. P. Yeh and
Ping Yeh Design and first tests of the CDF Run 2
farms . . . . . . . . . . . . . . . . . 239--245
Jim Basney and
Miron Livny and
Paolo Mazzanti Utilizing widely distributed
computational resources efficiently with
execution domains . . . . . . . . . . . 246--252
M. Breitung and
J. Fromm and
T. Levshina and
I. Mandrichenko and
M. Schweitzer Farm Batch System and Fermi
Inter-Process Communication and
Synchronization toolkit . . . . . . . . 253--265
A. Ballaminut and
C. Colonello and
M. Dönszelmann and
E. van Herwijnen and
D. Köper and
J. Korhonen and
M. Litmaath and
J. Perl and
A. Theodorou and
D. Whiteson and
E. Wolff WIRED --- World Wide Web interactive
remote event display . . . . . . . . . . 266--273
Iosif Legrand and
On behalf of the MONARC Collaboration Multi-threaded, discrete event
simulation of distributed computing
systems . . . . . . . . . . . . . . . . 274--285
Anonymous Author index . . . . . . . . . . . . . . 287--292
Anonymous Contents . . . . . . . . . . . . . . . . xiii--xv
Anonymous Foreword . . . . . . . . . . . . . . . . xi--xii
J. Ackermann and
U. Tangen and
B. Bödekker and
J. Breyer and
E. Stoll and
J. S. McCaskill Parallel random number generator for
inexpensive configurable hardware cells 293--302
Fuyuki Shimojo and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta Linear-scaling density-functional-theory
calculations of electronic structure
based on real-space grids: design,
analysis, and scalability test of
parallel algorithms . . . . . . . . . . 303--314
Chris-Kriton Skylaris and
Arash A. Mostofi and
Peter D. Haynes and
Chris J. Pickard and
Mike C. Payne Accurate kinetic energy evaluation in
electronic structure calculations with
localized functions on real space grids 315--322
Dimitris Zaharioudakis Calculation of shape-truncation
functions for hexagonal cells . . . . . 323--345
G. Vanden Berghe and
L. Gr. Ixaru and
M. Van Daele Optimal implicit exponentially-fitted
Runge--Kutta methods . . . . . . . . . . 346--357
T. E. Simos and
Jesus Vigo-Aguiar An exponentially-fitted high order
method for long-term integration of
periodic initial-value problems . . . . 358--365
M. Sugawara Numerical solution of the Schrödinger
equation by neural network and genetic
algorithm . . . . . . . . . . . . . . . 366--380
Gennady V. Mil'nikov and
Hiroki Nakamura Use of diabatic basis in the
adiabatic-by-sector $R$-matrix
propagation method in time-independent
reactive scattering calculations . . . . 381--398
Yiming Li and
Jinn-Liang Liu and
O. Voskoboynikov and
C. P. Lee and
S. M. Sze Electron energy level calculations for
cylindrical narrow gap semiconductor
quantum dot . . . . . . . . . . . . . . 399--404
R. Donangelo and
K. Sneppen and
S. R. Souza A computer program for statistical
multifragmentation of nuclei . . . . . . 405--411
César Tablero and
Alfredo Aguado and
Miguel Paniagua Global fit of ab initio potential
energy surfaces: II.2. Tetratomic
systems A$_2$B$_2$ and ABC$_2$ . . . . . 412--417
Thomas Hahn Generating Feynman diagrams and
amplitudes with FeynArts 3 . . . . . . . 418--431
S. Jadach and
W. Placzek and
M. Skrzypek and
B. F. L. Ward and
Z. W\kas The Monte Carlo event generator YFSWW3
version 1.16 for $W$-pair production and
decay at LEP2/LC energies . . . . . . . 432--474
S. Jadach and
W. Placzek and
M. Skrzypek and
B. F. L. Ward and
Z. W\kas The Monte Carlo program KoralW version
1.51 and the concurrent Monte Carlo
KoralW&YFSWW3 with all background graphs
and first-order corrections to $ {W}
$-pair production . . . . . . . . . . . 475--512
Anonymous Contents to volume 140 . . . . . . . . . 513--516
Anonymous Author index to volume 140 . . . . . . . 517--523
Anonymous Program index to volume 140 . . . . . . 524--524
Kholmirzo Kholmurodov and
Igor Puzynin and
William Smith and
Kenji Yasuoka and
Toshikazu Ebisuzaki MD simulation of cluster-surface impacts
for metallic phases: soft landing,
droplet spreading and implantation . . . 1--16
Francesco Miniati COSMOCR: a numerical code for cosmic ray
studies in computational cosmology . . . 17--38
Terry J. Frankcombe and
Sean C. Smith Time evolution in the unimolecular
master equation at low temperatures:
full spectral solution with scalable
iterative methods and high precision . . 39--54
R. Sanchez and
M. Yu. Isaev and
S. P. Hirshman and
W. A. Cooper and
G. Y. Fu and
J. A. Jimenez and
L. P. Ku and
M. I. Mikhailov and
D. A. Monticello and
A. H. Reiman and
A. A. Subbotin Ideal MHD stability calculations for
compact stellarators . . . . . . . . . . 55--65
Yiming Li and
O. Voskoboynikov and
C. P. Lee and
S. M. Sze Computer simulation of electron energy
levels for different shape InAs/GaAs
semiconductor quantum dots . . . . . . . 66--72
L. Lugosi and
L. Sarkadi Calculation of the matrix elements of
the Coulomb interaction involving
relativistic hydrogenic wave functions 73--82
Lorenzo Bellagamba LQGENEP: a leptoquark generator for $ e
p $ scattering . . . . . . . . . . . . . 83--97
Massimo Di Pierro Matrix distributed processing: a set of
C++ tools for implementing generic
lattice computations on parallel systems 98--148
A. Lupu and
V. Cuculeanu Code for calculating the vertical
distribution of radon isotopes and their
progeny in the atmosphere . . . . . . . 149--162
S. Fritzsche Utilities for the Ratip package . . . . 163--174
S. A. McCarthy and
J. B. Wang and
P. C. Abbott Electronic structure calculation for
$N$-electron quantum dots . . . . . . . 175--204
Michael G. Tews and
Warren F. Perger Standalone relativistic continuum
wavefunction solver . . . . . . . . . . 205--216
B. Golosio and
A. Brunetti and
S. R. Amendolia A novel morphological approach to volume
extraction in $3$D tomography . . . . . 217--224
P. Nikitas and
A. Papageorgiou Modifications of the classical genetic
algorithm for non-linear fitting applied
to response surface modeling in HPLC . . 225--229
R. Frühwirth and
M. Liendl Mixture models of multiple scattering:
computation and simulation . . . . . . . 230--246
Zhiliang Ren and
Zhidong Deng and
Zengqi Sun and
Dianxun Shuai Behaviours of networks with different
topologies and protocols . . . . . . . . 247--259
Jesper Dall and
Paolo Sibani Faster Monte Carlo simulations at low
temperatures. The waiting time method 260--267
V. B. Mandelzweig and
F. Tabakin Quasilinearization approach to nonlinear
problems in physics with application to
nonlinear ODEs . . . . . . . . . . . . . 268--281
M. J. Carvalho and
S. D'Agostino A Maple program for calculations with
Schur functions . . . . . . . . . . . . 282--295
T. Gehrmann and
E. Remiddi Numerical evaluation of harmonic
polylogarithms . . . . . . . . . . . . . 296--312
P. Knoll and
S. Mirzaei Improved parallel implementation of the
two-dimensional Ising model . . . . . . 313--321
C. H. Shon and
H. J. Lee and
J. K. Lee Method to increase the simulation speed
of particle-in-cell (PIC) code . . . . . 322--329
Anthony J. H. M. Meijer Time-dependent wave packet calculations
on parallel computers: a new and
efficient algorithm for evaluating $ {H}
{\Psi } $ . . . . . . . . . . . . . . . 330--341
V. E. Moiseenko and
V. V. Pilipenko Local solution method for numerical
solving of the wave propagation problem 342--349
Ali Liaqat and
Makoto Fukuhara and
Tatsuoki Takeda Application of neural network
collocation method to data assimilation 350--364
Michele Iovieno and
Carlo Cavazzoni and
Daniela Tordella A new technique for a parallel dealiased
pseudospectral Navier--Stokes code . . . 365--374
H. Kamberaj and
V. Helms Monte Carlo simulation of biomolecular
systems with BIOMCSIM . . . . . . . . . 375--402
Fernando M. S. Silva Fernandes and
Rui P. S. Fartaria and
Filomena F. M. Freitas The starting state in simulations of the
fluid-solid coexistence by Gibbs--Duhem
integration . . . . . . . . . . . . . . 403--411
A. Brunetti and
B. Golosio Software for X-ray fluorescence and
scattering tomographic reconstruction 412--425
Anonymous Contents to volume 141 . . . . . . . . . 427--429
Anonymous Author index to volume 141 . . . . . . . 430--432
Anonymous Program index to volume 141 . . . . . . 433--434
William J. Thompson Computing special functions of
mathematical physics . . . . . . . . . . 1--6
Larry A. Viehland Ion-atom interaction potentials and
transport properties . . . . . . . . . . 7--13
B. D. Todd Computer simulation of simple and
complex atomistic fluids by
nonequilibrium molecular dynamics
techniques . . . . . . . . . . . . . . . 14--21
Markus Hegland and
William Clarke and
Margaret Kahn Mining the MACHO dataset . . . . . . . . 22--28
Grant Lythe and
Salman Habib Stochastic PDEs: convergence to the
continuum? . . . . . . . . . . . . . . . 29--35
Tomoteru Yoshié Recent results from massively parallel
computers dedicated to lattice QCD . . . 36--42
Steven Gottlieb Cost-effective clustering . . . . . . . 43--48
The Complexity Simulation Group and
Takaya Hayashi Computer simulation of nonlinear
phenomena in plasmas . . . . . . . . . . 49--54
Yuko Okamoto Protein folding simulations and
structure predictions . . . . . . . . . 55--63
Hiromu Ishio and
Alexander I. Saichev and
Almas F. Sadreev and
Karl-Fredrik Berggren Wave function statistics for mesoscopic
transport through chaotic open
billiards: time reversibility, space
reciprocity breaking and statistical
crossover . . . . . . . . . . . . . . . 64--70
R. Ball Understanding critical behaviour through
visualization: a walk around the
pitchfork . . . . . . . . . . . . . . . 71--75
P. M. A. Sloot and
B. J. Overeinder and
A. Schoneveld Self-organized criticality in simulated
correlated systems . . . . . . . . . . . 76--81
Mitsuyoshi Tomiya and
Naotaka Yoshinaga Numerical analysis of level statistical
properties of two- and three-dimensional
coupled quartic oscillators . . . . . . 82--87
Naotaka Yoshinaga and
Mitsuyoshi Tomiya New approach to level statistics of
coupled quartic oscillators . . . . . . 88--94
Dmitry V. Strunin Computations of auto-solitary structures
modeling extended elementary particles 95--99
Takaaki Kawaguchi and
Hiroshi Matsukawa Friction and complex dynamics at solid
surfaces . . . . . . . . . . . . . . . . 100--104
K. F. Wilson and
D. J. Goossens A computational model of
gastro-intestinal motility . . . . . . . 105--108
Iwan Jensen Enumeration of compact self-avoiding
walks . . . . . . . . . . . . . . . . . 109--113
Yasuhiro Inoue and
Yu Chen and
Hirotada Ohashi Development of a simulation model for
solid objects suspended in a fluctuating
fluid . . . . . . . . . . . . . . . . . 114--116
Adam Czezowski and
Cliff Woodward Optimizing simulations of confined
polymer melts at constant chemical
potential . . . . . . . . . . . . . . . 117--122
Susumu Fujiwara and
Tetsuya Sato Molecular dynamics study of structure
formation of a single polymer chain by
cooling . . . . . . . . . . . . . . . . 123--126
Hiroaki Nakamura and
Susumu Fujiwara and
Tetsuya Sato Dynamical process of coalescence of
domains in a short chain-molecule system 127--130
Shuji Munejiri and
Fuyuki Shimojo and
Kozo Hoshino Photo-induced polymerization in liquid
sulfur studied by an ab initio
molecular-dynamics simulation . . . . . 131--135
Hiroyasu Tasaki and
Jun-ichi Takimoto and
Masao Doi Prediction of the rheological properties
of polymers using a stochastic
simulation . . . . . . . . . . . . . . . 136--139
Ken-ichiro Tsuda and
Hiroki Kaneko and
Jiro Shimada and
Toshikazu Takada Ab initio MO studies of interaction
mechanisms of Protein Kinase C with cell
membranes . . . . . . . . . . . . . . . 140--143
M. Isobe and
H. Shimizu and
Y. Hiwatari A multicanonical molecular dynamics
study for a model protein-g . . . . . . 144--147
Miki Hirabayashi and
Yu Chen and
Hirotada Ohashi A lattice Boltzmann analysis of the
effects of the internal angular momentum
on rheology of magnetic fluids . . . . . 148--150
A. G. Hoekstra and
P. M. A. Sloot Wall effects on density fluctuations in
the GBL thermal lattice gas automaton 151--154
L. L. Chu and
K. W. Yu Spin scattering of a particle for
periodic boundary conditions . . . . . . 155--159
T. A. Nieminen and
J. E. R. Ross How to SYN in seven easy steps . . . . . 160--163
Tatsuaki Wada and
Tomotoshi Nishino Interaction-round-a-face density-matrix
renormalization-group method . . . . . . 164--167
Chris Allton Recent lattice QCD results from the
UKQCD collaboration . . . . . . . . . . 168--171
Akihisa Koga and
Norio Kawakami Quantum phase transitions for the
three-dimensional orthogonal-dimer spin
system . . . . . . . . . . . . . . . . . 172--175
T. Munehisa and
Y. Munehisa An attempt to calculate energy
eigenvalues in quantum systems of large
sizes (operator-variational approach) 176--180
Hiromi Otsuka Phase diagrams of the one-dimensional
anisotropic extended Hubbard model . . . 181--185
Kevin Burrage and
Tianhai Tian Stiffly accurate Runge--Kutta methods
for stiff stochastic differential
equations . . . . . . . . . . . . . . . 186--190
Y. F. Fung and
M. F. Ercan and
T. K. Ho and
W. L. Cheung Performance optimization for parallel
processing on a multiple-CPU server . . 191--195
N. Attig and
Th. Lippert and
H. Neff and
J. Negele and
K. Schilling Giant eigenproblems from lattice gauge
theory on CRAY T3E systems . . . . . . . 196--200
Young Joo Lee and
R. M. Nieminen and
Eok-Kyun Lee and
S. Kim Universal melting behaviour of clusters 201--205
Jerry S. Brock and
J. Renae Wiseman Discrete-expansions for linear
interpolation functions . . . . . . . . 206--213
Masao Iwamatsu Applying evolutionary programming to
structural optimization of atomic
clusters . . . . . . . . . . . . . . . . 214--218
G. Collecutt and
P. D. Drummond \tt xmds: eXtensible multi-dimensional
simulator . . . . . . . . . . . . . . . 219--223
Hiroo Fukunaga and
Takeshi Aoyagi and
Jun-ichi Takimoto and
Masao Doi Derivation of coarse-grained potential
for polyethylene . . . . . . . . . . . . 224--226
Yuichi Tamura and
Akira Kageyama and
Tetsuya Sato and
Susumu Fujiwara and
Hiroaki Nakamura Virtual reality system to visualize and
auralize numerical simulation data . . . 227--230
R. V. N. Melnik Computational analysis of coupled
physical fields in piezothermoelastic
media . . . . . . . . . . . . . . . . . 231--237
Keiji Hayashi and
Takuo Kanayama and
Seiji Kawakita and
Syo Sunouchi and
Mitsuhiro Takimoto and
Yasunori Kawamura and
Akifumi Maeda Phonon-band engineering as a novel
approach to modify frictional
characteristics of mesoscopic solid
materials . . . . . . . . . . . . . . . 238--242
B. D. Blackwell and
B. F. McMillan and
A. C. Searle and
H. J. Gardner Algorithms for real time magnetic field
tracing and optimization . . . . . . . . 243--247
Zeke S. H. Chan and
H. W. Ngan and
Y. F. Fung and
A. B. Rad An advanced evolutionary algorithm for
parameter estimation of the discrete
Kalman filter . . . . . . . . . . . . . 248--254
Naoki Watanabe and
Masaru Tsukada Efficient algorithm for TD--Schrödinger
equation and TD--Kohn--Sham equation . . 255--258
Katsuya Hasebe and
Akihiro Nakayama and
Yuki Sugiyama Soliton solutions of exactly solvable
dissipative systems . . . . . . . . . . 259--262
Thomas J. T. Kwan and
Allen R. Mathews and
Peggy J. Christenson and
Charles M. Snell Integrated system simulation in X-ray
radiography . . . . . . . . . . . . . . 263--269
W. S. Man and
H. Y. Tam and
S. Y. Liu and
K. C. Chan Design of fiber Bragg grating for
flattening of superfluorescent fiber
source (SFS) using computer simulation 270--273
B. Lough and
S. P. Lee and
R. A. Lewis and
C. Zhang Electronic thermal transport and
thermionic cooling in semiconductor
multi-quantum-well structures . . . . . 274--280
Junichi Tashiro and
Tetsuya Morishita and
Shuichi Nosé Influence of $k$-point sampling on
stability of structures obtained by ab
initio MD simulations . . . . . . . . . 281--284
Yiming Li and
Jinn-Liang Liu and
Tien-Sheng Chao and
S. M. Sze A new parallel adaptive finite volume
method for the numerical simulation of
semiconductor devices . . . . . . . . . 285--289
H. H. Kwong and
Y. P. Feng and
T. B. Boo Composition dependent properties of GaAs
clusters . . . . . . . . . . . . . . . . 290--294
Kazuma Nakamura and
Atushi Ikawa Infrared absorption in amorphous
selenium . . . . . . . . . . . . . . . . 295--299
P. Jiang and
W. C. Kok Intradonor $ 1 s $-$ 2 p_+ $ absorption
line shapes of doped
GaAs/Al$_{0.3}$Ga$_{0.7}$As
superlattices . . . . . . . . . . . . . 300--304
Young Joo Lee and
R. M. Nieminen First principles study of oxygen defects
in silicon . . . . . . . . . . . . . . . 305--310
Kiyotaka Hammura and
Kazuo Sakai and
Miho Seyama and
Yoshinobu Aoyagi Interpretation of magneto-oscillatory
spectra in cuprous oxide as quantum
manifestation of classical
non-integrability . . . . . . . . . . . 311--315
A. J. Roberts Holistic projection of initial
conditions onto a finite difference
approximation . . . . . . . . . . . . . 316--321
Sergey A. Suslov Searching convective/absolute
instability boundary for flows with
fully numerical dispersion relation . . 322--325
Takayuki Aoki $3$D simulation for falling papers . . . 326--329
M. E. Simpson and
A. J. Roberts An accurate lubrication model of
contaminated coating flows . . . . . . . 330--332
Dmitry V. Strunin A transfer of a tracer in decaying
turbulent layer . . . . . . . . . . . . 333--337
Shunji Ido and
Ryusuke Hirose Three-dimensional magnetic field
analyses on the magnetron sputtering
system by using Free Mesh Method . . . . 338--342
Robin Storer and
Henry Gardner Resistive magnetohydrodynamic modeling
for $3$D plasmas . . . . . . . . . . . . 343--348
R. D. White and
R. E. Robson and
K. F. Ness Computation of electron and ion
transport properties in gases . . . . . 349--355
Tetsuya Morishita Structure of liquid phosphorus: a
liquid-liquid phase transition via
constant-pressure first-principles
molecular dynamics . . . . . . . . . . . 356--360
L. Roters and
S. Lübeck and
K. D. Usadel Thermally activated interface motion in
a disordered ferromagnet . . . . . . . . 361--363
Fuyuki Shimojo and
Kozo Hoshino and
Y. Zempo Ab initio molecular-dynamics simulation
method for complex liquids . . . . . . . 364--367
K. W. Yu and
Jones T. K. Wan Local field distribution near corrugated
interfaces: Green's function formulation 368--373
C. Zhang Electronic states and dielectric
response of an electron gas under a
quantizing magnetic field and an intense
laser . . . . . . . . . . . . . . . . . 374--381
Masamichi Nishino and
Seiji Miyashita Dynamical response of local magnetic
structures induced by inhomogeneities to
time-dependent magnetic field . . . . . 382--386
D. J. Goossens and
T. R. Welberry Monte Carlo study of disorder in HMTA 387--390
S. M. M. Virtanen and
M. M. Salomaa Computing microscopic structures of
inhomogeneities in superconductors . . . 391--395
T. P. Simula and
S. M. M. Virtanen and
M. M. Salomaa Quantized circulation in dilute
Bose--Einstein condensates . . . . . . . 396--400
Y. Senda and
F. Shimojo and
K. Hoshino A survival of the polyanions in liquid
alloys . . . . . . . . . . . . . . . . . 401--405
Gaetano Senatore and
S. Moroni and
D. Varsano Spontaneous magnetization of the $2$D
electron gas . . . . . . . . . . . . . . 406--409
Nobuo Furukawa and
Yukitoshi Motome and
Hisaho Nakata Monte Carlo algorithm for the double
exchange model optimized for parallel
computations . . . . . . . . . . . . . . 410--413
Young Joo Lee and
R. M. Nieminen and
S. Kim Theoretical and computational study of
the interlayer relaxation of surfaces
and nanocrystals . . . . . . . . . . . . 414--417
H. Shima and
H. Obuse and
K. Yakubo and
T. Nakayama The forced oscillator method
incorporating the fast time-evolution
algorithm . . . . . . . . . . . . . . . 418--423
Hiroyuki Shima and
Kousuke Yakubo and
Tsuneyoshi Nakayama Quantum transport in long-range random
magnetic fields . . . . . . . . . . . . 424--428
K. Yakubo Transfer-matrix approach to electron
transport in inhomogeneous magnetic
fields . . . . . . . . . . . . . . . . . 429--435
Jun-ichiro Ohe and
Kousuke Yakubo AC current in nonequilibrium mesoscopic
systems . . . . . . . . . . . . . . . . 436--441
P. Deuar and
P. D. Drummond Stochastic gauges in quantum dynamics
for many-body simulations . . . . . . . 442--445
Y. L. Siu and
Jones T. K. Wan and
K. W. Yu Interparticle force in polydisperse
electrorheological fluids: Beyond the
dipole approximation . . . . . . . . . . 446--452
C. K. Lo and
Jones T. K. Wan and
K. W. Yu Geometric anisotropic effects on local
field distribution: Generalized
Clausius--Mossotti relation . . . . . . 453--456
Jones T. K. Wan and
G. Q. Gu and
K. W. Yu Nonlinear ER effects in an ac applied
field . . . . . . . . . . . . . . . . . 457--463
Hiroaki Nakamura and
Toshiharu Saiki and
Hirotomo Kambe and
Keiji Sawada FDTD simulation of tapered structure of
near-field fiber probe . . . . . . . . . 464--467
T. A. Nieminen and
H. Rubinsztein-Dunlop and
N. R. Heckenberg and
A. I. Bishop Numerical modelling of optical trapping 468--471
Anonymous Author index . . . . . . . . . . . . . . 473--479
Anonymous Contents . . . . . . . . . . . . . . . . xiii--xviii
Anonymous Preface . . . . . . . . . . . . . . . . xi--xii
T. K. Ho and
B. H. Mao and
Z. Z. Yuan and
H. D. Liu and
Y. F. Fung Computer simulation and modeling in
railway applications . . . . . . . . . . 1--10
Eric J. Bylaska and
Marat Valiev and
Ryoichi Kawai and
John H. Weare Parallel implementation of the projector
augmented plane wave method for charged
systems . . . . . . . . . . . . . . . . 11--28
S. A. Galkin and
A. A. Ivanov and
S. Yu. Medvedev and
A. G. Elfimov Multi-fluid MHD model and calculations
of Alfvén wave spectrum and dissipation
in tokamaks . . . . . . . . . . . . . . 29--47
F. Detering and
V. Yu. Bychenkov and
W. Rozmus and
R. Sydora and
C. E. Capjack Langevin representation of laser heating
in PIC simulations . . . . . . . . . . . 48--53
Thomas Hahn and
Christian Schappacher The implementation of the Minimal
Supersymmetric Standard Model in
FeynArts and FormCalc . . . . . . . . . 54--68
Yuri Alexeev and
Ricky A. Kendall and
Mark S. Gordon The distributed data SCF . . . . . . . . 69--82
M. Rizea PERSYS --- a program for the solution
near the origin of coupled channel
Schrödinger equation with singular
potential . . . . . . . . . . . . . . . 83--99
H. Jung The CCFM Monte Carlo generator Cascade 100--111
S. Y. Yang and
Y. C. Zhou and
G. W. Wei Comparison of the discrete singular
convolution algorithm and the Fourier
pseudospectral method for solving
partial differential equations . . . . . 113--135
W. Th. Wenckebach and
P. Kinsler An optimized algorithm for ionized
impurity scattering in Monte Carlo
simulations . . . . . . . . . . . . . . 136--141
Masato Ida A conservative semi-Lagrangian method
for oscillation-free computation of
advection processes . . . . . . . . . . 142--154
Wlodzimierz Kozlowski A note on varying lattice isotropy . . . 155--161
S. Borowski and
S. Thiel and
T. Klüner and
H.-J. Freund and
R. Tisma and
H. Lederer High-dimensional quantum dynamics of
molecules on surfaces: a massively
parallel implementation . . . . . . . . 162--173
P. Bogdanovich and
R. Karpuskien\.e and
A. Momkauskait\.e Some problems of calculation of energy
spectra of complex atomic configurations 174--180
Gary E. Bowman Propagator approach for time evolving
wave packets in the quantum kicked
rotator . . . . . . . . . . . . . . . . 181--186
G. Mancini A redundancy eliminating approach to
linearly independent rings selection in
the ring perception problem . . . . . . 187--197
Yosslen Aray and
Jesus Rodriguez and
David Vega An implementation of the atoms in
molecules theory to the FPLAPW method 199--212
Linfang Shen and
Sailing He and
Sanshui Xiao A finite-difference eigenvalue algorithm
for calculating the band structure of a
photonic crystal . . . . . . . . . . . . 213--221
Jernej Stare and
Janez Mavri Numerical solving of the vibrational
time-independent Schrödinger equation in
one and two dimensions using the
variational method . . . . . . . . . . . 222--240
Frank Di Marzio Analytic nuclear scattering theories . . 241--256
A. Chuvakin and
J. Smith Evolution program for parton densities
with perturbative heavy flavor boundary
conditions . . . . . . . . . . . . . . . 257--286
Ramon Toldr\`a A C++ code to solve the DGLAP equations
applied to Ultra High Energy Cosmic Rays 287--304
B. C. Allanach SOFTSUSY: a program for calculating
supersymmetric spectra . . . . . . . . . 305--331
Anonymous Contents to volume 143 . . . . . . . . . 333--334
Anonymous Author index to volume 143 . . . . . . . 335--337
Anonymous Program index to volume 143 . . . . . . 338--338
Alfred Uhlherr and
Stephen J. Leak and
Nadia E. Adam and
Per E. Nyberg and
Manolis Doxastakis and
Vlasis G. Mavrantzas and
Doros N. Theodorou Large scale atomistic polymer
simulations using Monte Carlo methods
for parallel vector processors . . . . . 1--22
Wayne Arter and
James W. Eastwood and
Nicholas J. Brealey A parallel elliptic solver for the EMX
software . . . . . . . . . . . . . . . . 23--28
Afet Golayoglu Fatullayev Numerical procedure for the
determination of an unknown coefficients
in parabolic equations . . . . . . . . . 29--33
J. W. Shu and
Q. Lu and
W. O. Wong and
Hanchen Huang Parallelization strategies for Monte
Carlo simulations of thin film
deposition . . . . . . . . . . . . . . . 34--45
L. G. S. Duarte and
S. E. S. Duarte and
L. A. C. P. da Mota and
J. E. F. Skea An extension of the Prelle--Singer
method and a Maple implementation . . . 46--62
M. Oettel and
L. von Smekal and
R. Alkofer Relativistic three-quark bound states in
separable two-quark approximation . . . 63--81
F. A. Berends and
R. van Gulik GaGaRes: a Monte Carlo generator for
resonance production in two-photon
physics . . . . . . . . . . . . . . . . 82--103
Brian Cox and
Jeff Forshaw Pomwig: Herwig for diffractive
interactions . . . . . . . . . . . . . . 104--110
Philippe Gay-Balmaz and
Olivier J. F. Martin A library for computing the filtered and
non-filtered $3$D Green's tensor
associated with infinite homogeneous
space and surfaces . . . . . . . . . . . 111--120
Oliver Vormoor Large scale fractal aggregates using the
tunable dimension cluster-cluster
aggregation . . . . . . . . . . . . . . 121--129
M. Gnani and
P. Lazzeretti and
A. Ligabue and
U. Pincelli and
A. Soncini An efficient coupled Hartree--Fock
computational scheme for
parity-violating energy differences in
enantiomeric molecules . . . . . . . . . 130--140
Pasupulati Lakshminarasimhulu and
Jeffry D. Madura A cell multipole based domain
decomposition algorithm for molecular
dynamics simulation of systems of
arbitrary shape . . . . . . . . . . . . 141--153
C. Bauer and
H. S. Do One-loop integrals with XLOOPS--GiNaC 154--168
Ronald J. Duchovic and
Yuri L. Volobuev and
Gillian C. Lynch and
Donald G. Truhlar and
Thomas C. Allison and
Albert F. Wagner and
Bruce C. Garrett and
Jose C. Corchado POTLIB 2001: a potential energy surface
library for chemical systems . . . . . . 169--187
Per Jönsson and
Stefan Gustafsson A program for computing weak and
intermediate field Zeeman splittings
from MCHF wave functions . . . . . . . . 188--199
T. Gehrmann and
E. Remiddi Numerical evaluation of two-dimensional
harmonic polylogarithms . . . . . . . . 200--223
Alexandre Faure and
Jimena D. Gorfinkiel and
Lesley A. Morgan and
Jonathan Tennyson GTOBAS: fitting continuum functions with
Gaussian-type orbitals . . . . . . . . . 224--241
Zhiliang Ren and
Zhidong Deng and
Zengqi Sun Cellular automaton modeling of computer
network . . . . . . . . . . . . . . . . 243--251
Pei-Chi Wu and
Kuo-Chan Huang and
Shih-Ting Ouyang Bit-parallel random number generation
for discrete uniform distributions . . . 252--260
Rebecca M. Darlington and
Thomas L. McAbee and
Garry Rodrigue Large eddy simulation and ALE mesh
motion in Rayleigh--Taylor instability
simulation . . . . . . . . . . . . . . . 261--276
Jeffrey A. George and
Michael E. Colvin and
V. V. Krishnan A simulator for ensemble quantum
computing . . . . . . . . . . . . . . . 277--283
A. Hannemann and
J. C. Schön and
M. Jansen A random close packing based algorithm
for the generation of continuous random
networks . . . . . . . . . . . . . . . . 284--296
Karl-Heinz Zimmermann Efficient DNA sticker algorithms for
NP-complete graph problems . . . . . . . 297--309
Zhiliang Ren and
Zhidong Deng and
Zengqi Sun Spatio-temporal organization of a
cellular automaton model for computer
network . . . . . . . . . . . . . . . . 310--316
G. W. Wei Shock capturing by anisotropic diffusion
oscillation reduction . . . . . . . . . 317--342
L. Kocbach Book Review: \booktitleComputer Algebra
Recipes: a Gourmet's Guide to the
Mathematical Models of Science: Richard
H. Enns and George C. McGuire, Springer,
New York, 2001 . . . . . . . . . . . . . 343--346
Anonymous Contents to volume 144 . . . . . . . . . 347--349
Anonymous Author index to volume 144 . . . . . . . 350--352
Anonymous Program index to volume 144 . . . . . . 353--354
Lindsey J. Munro and
Arnold Tharrington and
Kenneth D. Jordan Global optimization and finite
temperature simulations of atomic
clusters: Use of Xe$_n$Ar$_m$ clusters
as test systems . . . . . . . . . . . . 1--23
Alexandra Viel and
Mehul V. Patel and
Parhat Niyaz and
K. Birgitta Whaley Importance sampling in rigid body
diffusion Monte Carlo . . . . . . . . . 24--47
J. Castillo-Chará and
John W. Bevan and
Robert R. Lucchese Fitting of an ab initio potential of
two linear-rigid-rotor dimer and the
calculation of rovibrational energy
levels by the pseudo-spectral approach 48--63
J. A. Beswick Quantum hopping techniques applied to
vibrational energy transfer . . . . . . 64--77
F. A. Gianturco and
Francesco Filippone Structure and dynamics of small
protonated rare-gas clusters using
quantum and classical methods . . . . . 78--96
M. I. Hernández and
A. García-Vela and
J. Campos-Martínez and
O. Roncero and
P. Villarreal and
G. Delgado-Barrio Time-dependent methods to study the
dissociation dynamics of tri- and
tetra-atomic clusters . . . . . . . . . 97--125
J. Galindez and
F. Calvo and
P. Paska and
D. Hrivnak and
R. Kalus and
F. X. Gadéa DIM modelings for realistic simulations
of ionic rare-gas clusters, test on
structures and photoabsorption spectra
of Ar$_n^+$ ($ n = 3 $--$8$ ) . . . . . 126--140
F. Y. Naumkin and
D. J. Wales Diatomics-in-molecules potentials
incorporating ab initio data:
Application to ionic, Rydberg-excited,
and molecule-doped rare gas clusters . . 141--155
T. González-Lezana and
S. Miret-Artés and
G. Delgado-Barrio and
P. Villarreal and
J. Rubayo-Soneira and
I. Baccarelli and
F. Paesani and
F. A. Gianturco A variational method to treat diffuse
states in weakly bound trimers . . . . . 156--183
Zlatko Baci\'c Reduced-dimensionality quantum bound
state treatment of hydrogen-bonded
clusters: torsional vibrational manifold
of the water trimer . . . . . . . . . . 184--193
Ersin Yurtsever Measuring chaos in rotating clusters . . 194--202
Anonymous Author index . . . . . . . . . . . . . . 203--204
Anonymous Contents . . . . . . . . . . . . . . . . xiii--xiv
Franco A. Gianturco Preface . . . . . . . . . . . . . . . . xi--xii
David De Wit Automatic construction of explicit $ {R}
$ matrices for the one-parameter
families of irreducible typical highest
weight $ ({O}_m | \alpha_n) $
representations of $ {\rm U}_q[g l(m |
n)] $ . . . . . . . . . . . . . . . . . 205--255
Frederick W. King and
Gregory J. Smethells and
Geir T. Helleloid and
Paul J. Pelzl Numerical evaluation of Hilbert
transforms for oscillatory functions: a
convergence accelerator approach . . . . 256--266
Takeshi Aoyagi and
Fumio Sawa and
Tatsuya Shoji and
Hiroo Fukunaga and
Jun-ichi Takimoto and
Masao Doi A general-purpose coarse-grained
molecular dynamics program . . . . . . . 267--279
Andrea Saltelli Making best use of model evaluations to
compute sensitivity indices . . . . . . 280--297
C. Donolato Analytical and numerical inversion of
the Laplace--Carson transform by a
differential method . . . . . . . . . . 298--309
A. G. Sunderland and
C. J. Noble and
V. M. Burke and
P. G. Burke A parallel $R$-matrix program PRMAT for
electron-atom and electron-ion
scattering calculations . . . . . . . . 311--340
S. Almehed and
Ch. Driouichi and
P. Eerola and
U. Mjörnmark and
O. Smirnova and
Ch. Zacharatou Jarlskog and
T. Åkesson Regional research exploitation of the
LHC: a case-study of the required
computing resources . . . . . . . . . . 341--350
B. Knuteson and
H. E. Miettinen and
L. Holmström $ \alpha \to $ PDE: a new multivariate
technique for parameter estimation . . . 351--356
Stefan Weinzierl Symbolic expansion of transcendental
functions . . . . . . . . . . . . . . . 357--370
Igor Stankovic and
Martin Kröger and
Siegfried Hess Recognition and analysis of local
structure in polycrystalline
configurations . . . . . . . . . . . . . 371--384
A. Deppman and
O. A. P. Tavares and
S. B. Duarte and
E. C. de Oliveira and
J. D. T. Arruda-Neto and
S. R. de Pina and
V. P. Likhachev and
O. Rodriguez and
J. Mesa and
M. Gonçalves The MCEF code for nuclear evaporation
and fission calculations . . . . . . . . 385--394
Anonymous Contents to volume 145 . . . . . . . . . 395--397
Anonymous Author index to volume 145 . . . . . . . 398--400
Anonymous Program index to volume 145 . . . . . . 401--401
Jacques G. Amar and
Fereydoon Family and
Mihail N. Popescu Kinetics of submonolayer epitaxial
growth . . . . . . . . . . . . . . . . . 1--8
C. Brangian and
W. Kob and
K. Binder Static and dynamic glass transitions in
the 10-state Potts glass: What can Monte
Carlo simulations contribute? . . . . . 9--15
Adauto J. F. de Souza and
M. L. Lyra Reweighting histogram technique for the
quantum Heisenberg ferromagnet . . . . . 16--23
S. C. Glotzer and
Y. Gebremichael and
N. Lacevic and
T. B. Schròder and
F. W. Starr Glass-forming liquids and polymers: with
a little help from computational
statistical physics . . . . . . . . . . 24--29
Maria Huhtala and
Antti Kuronen and
Kimmo Kaski Carbon nanotube structures: molecular
dynamics simulation at realistic limit 30--37
Andrey Milchev and
Alexander Milchev and
Kurt Binder Nanodroplets on a solid plane: wetting
and spreading in a Monte Carlo
simulation . . . . . . . . . . . . . . . 38--53
Martin H. Müser Towards an atomistic understanding of
solid friction by computer simulations 54--62
Yutaka Okabe and
Yusuke Tomita and
Chiaki Yamaguchi Application of new Monte Carlo
algorithms to random spin systems . . . 63--68
Takehiro Nagasima and
Yuji Sugita and
Ayori Mitsutake and
Yuko Okamoto Generalized-ensemble simulations of spin
systems and protein systems . . . . . . 69--76
Mark D. Rintoul The new biology and computational
statistical physics . . . . . . . . . . 77--83
H. E. Stanley and
L. A. N. Amaral and
P. Gopikrishnan and
V. Plerou and
M. A. Salinger Application of computational statistical
physics to scale invariance and
universality in economic phenomena . . . 84--92
Dietrich Stauffer Sociophysics: the Sznajd model and its
applications . . . . . . . . . . . . . . 93--98
Nigel B. Wilding A new simulation approach to the
freezing transition . . . . . . . . . . 99--106
A. P. Young Spin glasses: a computational challenge
for the 21st century . . . . . . . . . . 107--112
W. Paul and
M. Müller Enhanced sampling in simulations of
dense systems . . . . . . . . . . . . . 113--117
Toshijiro Tanaka and
Junko Shibata and
Masayoshi Inoue On reevaluation rate in discrete time
Hogg--Huberman model . . . . . . . . . . 118--121
Yuri S. Velichko and
Kenichi Yoshikawa and
Alexei R. Khokhlov Monte Carlo simulation of circular
double-stranded polymers . . . . . . . . 122--124
A. Voigt Quantum disorder due to singlet
formation: The Plaquette lattice . . . . 125--128
Jayanth R. Banavar and
Amos Maritan The science of life . . . . . . . . . . 129--130
J. D. Gunton Opportunities for computational science
in materials science . . . . . . . . . . 131--131
M. A. Novotny Computational statistical physics: 21st
century extrema . . . . . . . . . . . . 132--133
D. C. Rapaport Classical molecular dynamics-whither? 134--134
Robert H. Swendsen Computational statistical physics in the
21st century . . . . . . . . . . . . . . 135--136
Anonymous Author index . . . . . . . . . . . . . . 137--138
Anonymous Contents . . . . . . . . . . . . . . . . xiii--xiv
David P. Landau and
Fereydoon Family Preface . . . . . . . . . . . . . . . . x--xi
A. E. Bondar and
S. I. Eidelman and
A. I. Milstein and
T. Pierzchala and
N. I. Root and
Z. W\kas and
M. Worek Novosibirsk hadronic currents for $ \tau
\to 4 \pi $ channels of $ \tau $ decay
library TAUOLA . . . . . . . . . . . . . 139--153
J. M. Rejcek and
S. Datta and
N. G. Fazleev and
J. L. Fry Application of the Feynman--Kac path
integral method in finding excited
states of quantum systems . . . . . . . 154--165
S. Pécoul and
S. Heuraux and
R. Koch and
G. Leclert Numerical modeling of the coupling of an
ICRH antenna with a plasma with
self-consistent antenna currents . . . . 166--187
I. P. Omelyan and
I. M. Mryglod and
R. Folk Optimized Forest--Ruth- and Suzuki-like
algorithms for integration of motion in
many-body systems . . . . . . . . . . . 188--202
J. van den Eshof and
A. Frommer and
Th. Lippert and
K. Schilling and
H. A. van der Vorst Numerical methods for the QCDd overlap
operator. I. Sign-function and error
bounds . . . . . . . . . . . . . . . . . 203--224
M. J. Seaton Coulomb functions for attractive and
repulsive potentials and for positive
and negative energies . . . . . . . . . 225--249
M. J. Seaton fgh, a code for the calculation of
Coulomb radial wave functions from
series expansions . . . . . . . . . . . 250--253
M. J. Seaton numer, a code for Numerov integrations
of Coulomb functions . . . . . . . . . . 254--260
T. Kondo GFACTOR2001: a program for relativistic
atomic $g$-factor calculations . . . . . 261--270
Frank E. Harris Comments on ``Ewald summation technique
for one-dimensional charge
distributions'' . . . . . . . . . . . . 271--273
D. J. Langridge and
J. F. Hart and
S. Crampin Reply to Comment on ``Ewald summation
technique for one-dimensional charge
distributions'' . . . . . . . . . . . . 274--275
Jeffrey Yepez Quantum computation for physical
modeling . . . . . . . . . . . . . . . . 277--279
Jeffrey Yepez and
Bruce Boghosian An efficient and accurate quantum
lattice-gas model for the many-body
Schrödinger wave equation . . . . . . . . 280--294
David A. Meyer Physical quantum algorithms . . . . . . 295--301
G. Ortiz and
J. E. Gubernatis and
E. Knill and
R. Laflamme Simulating fermions on a quantum
computer . . . . . . . . . . . . . . . . 302--316
Sauro Succi Lattice Boltzmann schemes for quantum
applications . . . . . . . . . . . . . . 317--323
G. P. Berman and
G. D. Doolen and
G. V. López and
V. I. Tsifrinovich A quantum full adder for a scalable
nuclear spin quantum computer . . . . . 324--330
Vladimir Privman and
Dima Mozyrsky and
Israel D. Vagner Quantum computing with spin qubits in
semiconductor structures . . . . . . . . 331--338
Marco A. Pravia and
Zhiying Chen and
Jeffrey Yepez and
David G. Cory Towards a NMR implementation of a
quantum lattice gas algorithm . . . . . 339--344
Anonymous Contents to volume 146 . . . . . . . . . 345--348
Anonymous Author index to volume 146 . . . . . . . 349--352
Anonymous Program index to volume 146 . . . . . . 353--353
Carlos F. Lopez and
Preston B. Moore and
John C. Shelley and
Mee Y. Shelley and
Michael L. Klein Computer simulation studies of
biomembranes using a coarse grain model 1--6
Géza Tóth and
Colin Denniston and
J. M. Yeomans Modeling nematohydrodynamics in liquid
crystal devices . . . . . . . . . . . . 7--12
Francisco Esquembre Computers in physics education . . . . . 13--18
D. Sornette Pushing the limits: Extremes and crashes
in finance and economics . . . . . . . . 19--21
Kurt Binder Simulations of phase transitions in
macromolecular systems . . . . . . . . . 22--33
C. William McCurdy and
Horst D. Simon and
William T. C. Kramer and
Robert F. Lucas and
William E. Johnston and
David H. Bailey Future directions in scientific
supercomputing for computational physics 34--39
M. E. J. Newman The structure and function of networks 40--45
Helmut Satz Cluster percolation and thermal critical
behavior . . . . . . . . . . . . . . . . 46--51
Bernd A. Berg Generalized ensemble simulations for
complex systems . . . . . . . . . . . . 52--57
H. W. J. Blöte and
J. R. Heringa and
E. Luijten Cluster Monte Carlo: Extending the range 58--63
Peter Grassberger Go with the winners: a general Monte
Carlo strategy . . . . . . . . . . . . . 64--70
K. Schwarz and
P. Blaha and
G. K. H. Madsen Electronic structure calculations of
solids using the WIEN2k package for
material sciences . . . . . . . . . . . 71--76
Koji Hukushima Extended ensemble Monte Carlo approach
to hardly relaxing problems . . . . . . 77--82
M. H. Müser On new efficient algorithms for PIMC and
PIMD . . . . . . . . . . . . . . . . . . 83--86
P. H. Borcherds A computational study of some Josephson
junction circuits . . . . . . . . . . . 87--90
Maria Huhtala and
Antti Kuronen and
Kimmo Kaski Computational studies of carbon nanotube
structures . . . . . . . . . . . . . . . 91--96
Shan-Ho Tsai and
Alex Bunker and
D. P. Landau Dynamic critical behavior of the
classical anisotropic BCC Heisenberg
antiferromagnet . . . . . . . . . . . . 97--100
Michel Pleimling Phase transitions at surfaces, edges,
and corners . . . . . . . . . . . . . . 101--106
M. Ahr and
M. Biehl and
T. Volkmann Modeling (001) surfaces of II--VI
semiconductors . . . . . . . . . . . . . 107--110
L. Brendel and
A. Schindler and
M. von den Driesch and
D. E. Wolf Different types of scaling in epitaxial
growth . . . . . . . . . . . . . . . . . 111--114
J. Marro and
J. M. Cortes and
P. I. Hurtado Modeling nonequilibrium phase
transitions and critical behavior in
complex systems . . . . . . . . . . . . 115--119
Bikas K. Chakrabarti and
Arkajyoti Misra Dynamic transitions in pure Ising
magnets under pulsed and oscillating
fields . . . . . . . . . . . . . . . . . 120--125
K. Kadau and
P. Entel and
P. S. Lomdahl Molecular-dynamics study of martensitic
transformations in sintered Fe--Ni
nanoparticles . . . . . . . . . . . . . 126--129
M.-H. Tsai First-principle molecular-dynamics
simulations of the sticking of Ga and N
gas-phase atoms on wurtzite GaN surfaces 130--133
Stefan Luding From microscopic simulations to
macroscopic material behavior . . . . . 134--140
D. C. Rapaport The wonderful world of granular ratchets 141--144
Jun Cai and
Jian-Sheng Wang Friction between Si tip and (001)-2$
\times $1 surface: a molecular dynamics
simulation . . . . . . . . . . . . . . . 145--148
N. B. Wilding and
F. Schmid Wetting of a symmetrical binary fluid
mixture on a wall . . . . . . . . . . . 149--153
C. Brangian and
W. Kob and
K. Binder Ergodicity breaking in a mean field
Potts glass: a Monte Carlo investigation 154--157
Ivan Barvík and
Josef Stepánek and
Ji\vrí Bok Fully solvated molecular dynamics
simulations of duplexes formed by
modified oligonucleotides with
xylo/phosphodiesteric and
xylo/phosphonate internucleoside
linkages and their natural counterpart 158--161
Ji\vrí Bur\vsík Phase constitution of Ni-based
quaternary alloys studied by Monte Carlo
simulation . . . . . . . . . . . . . . . 162--165
Massimo Celino and
Carlo Massobrio First principles investigation of the
intermediate range order in disordered
materials: the case of SiSe$_2$ . . . . 166--169
H. Liu and
Ch. Elster and
W. Glöckle Numerical implementation of three-body
forces in bound state Faddeev
calculations in three dimensions . . . . 170--173
Robert Fabia\'nski and
Lucyna Firlej and
Bogdan Kuchta Six-state model of cyanoadamantane
crystal. MC simulations . . . . . . . . 174--177
J. H. Los and
A. Fasolino Monte Carlo simulations of carbon-based
structures based on an extended Brenner
potential . . . . . . . . . . . . . . . 178--181
S. Itoh and
U. Nagashima Variation effect on the insecticide
activity of DDT analogues. A chemometric
approach . . . . . . . . . . . . . . . . 182--185
Dieter F. Ihrig and
Jörg Stockhaus and
Frank Scheide and
Oliver Winkelhake and
Oliver Streuber Quantification of channels of plasma
polymerization using a chemical model
based on mass spectrometry . . . . . . . 186--189
Dirk Kadau and
Guido Bartels and
Lothar Brendel and
Dietrich E. Wolf Contact dynamics simulations of
compacting cohesive granular systems . . 190--193
G. Kamieniarz and
R. Matysiak and
A. Caramico D'Auria and
F. Esposito and
C. Benelli Large-scale simulations of the
finite-temperature properties of the
molecular assemblies Mn$_6$ and
Ni$_{12}$ . . . . . . . . . . . . . . . 194--197
Theodoros E. Karakasidis Vibrational properties of a $ \Sigma $
5(310)[001] NiO grain boundary as a
function of temperature: a molecular
dynamics simulation . . . . . . . . . . 198--201
M. Knaup and
P.-G. Reinhard and
C. Toepffer and
G. Zwicknagel Wave Packet Molecular Dynamics
simulations of hydrogen at mbar
pressures . . . . . . . . . . . . . . . 202--204
L. I. Kurkina Density-functional study of
multielectron ionization of sodium
clusters by strong femtosecond laser
pulses . . . . . . . . . . . . . . . . . 205--208
Yiming Li and
O. Voskoboynikov and
C. P. Lee and
S. M. Sze Calculation of induced electron states
in three-dimensional semiconductor
artificial molecules . . . . . . . . . . 209--213
Yiming Li and
Jam-Wem Lee and
Ting-Wei Tang and
Tien-Sheng Chao and
Tan-Fu Lei and
S. M. Sze Numerical simulation of quantum effects
in high-$k$ gate dielectric MOS
structures using quantum mechanical
models . . . . . . . . . . . . . . . . . 214--217
Uwe Brodatzki and
Klaus Mecke Simulating stochastic geometries:
morphology of overlapping grains . . . . 218--221
C. Mischler and
W. Kob and
K. Binder Classical and ab-initio molecular
dynamic simulation of an amorphous
silica surface . . . . . . . . . . . . . 222--225
F. Much and
M. Ahr and
M. Biehl and
W. Kinzel A Kinetic Monte Carlo method for the
simulation of heteroepitaxial growth . . 226--229
Britta Nestler and
Adam A. Wheeler Phase-field modeling of multi-phase
solidification . . . . . . . . . . . . . 230--233
Jun Ni and
Binglin Gu Kinetics of ordering during codeposition 234--237
S. Pisov and
A. Proykova Charge dependence of temperature-driven
phase transitions of molecular
nanoclusters: Molecular dynamics
simulation . . . . . . . . . . . . . . . 238--241
R. Radev and
A. Proykova Parallel J--W Monte Carlo simulations of
thermal phase changes in finite-size
systems . . . . . . . . . . . . . . . . 242--245
Philipp Cain and
Frank Milde and
Rudolf A. Römer and
Michael Schreiber Use of cluster computing for the
Anderson model of localization . . . . . 246--250
W. Selke and
F. Szalma and
J. S. Hager Fluctuations of steps on crystal
surfaces . . . . . . . . . . . . . . . . 251--254
D. V. Brunev and
I. G. Neizvestny and
N. L. Shwartz and
Z. Sh. Yanovitskaya Interlayer atomic diffusion as the
reason for self-assembled quantum dot
formation . . . . . . . . . . . . . . . 255--258
J. H. Werth and
S. M. Dammer and
Z. Farkas and
H. Hinrichsen and
D. E. Wolf Agglomeration in charged suspensions . . 259--262
Junko Yamasaki and
Naomichi Hatano A new algorithm of analyzing the
metal-insulator transition of the
Anderson model . . . . . . . . . . . . . 263--266
Yoshitake Yamazaki and
Herbert Gleiter and
Junji Tani and
Yutaka Abe and
Keiichiro Nakamura and
Haruyasu Mizoguchi and
Tomohiro Irie and
Masahiro Watanabe and
Dai Ito Mesoscopic phase transitions and their
critical behavior of nanostructured
materials . . . . . . . . . . . . . . . 267--271
I. G. Neizvestny and
N. L. Shwartz and
Z. Sh. Yanovitskaya and
A. V. Zverev $3$D-model of epitaxial growth on porous
111 and 100 Si surfaces . . . . . . . . 272--275
Harald Lange and
Friederike Schmid Surface anchoring on liquid crystalline
polymer brushes . . . . . . . . . . . . 276--281
René Messina and
Christian Holm and
Kurt Kremer Charge inversion in colloidal systems 282--285
Sanjay Puri Kinetics of wetting for phase-separating
binary mixtures . . . . . . . . . . . . 286--291
Marcus Müller Interplay between wetting and
miscibility in thin binary polymer films 292--297
Alexey V. Lyulin and
M. A. J. Michels Large-scale computer simulation of local
segmental dynamics in amorphous atactic
polystyrene . . . . . . . . . . . . . . 298--302
Anna A. Rzepiela and
Joost H. J. van Opheusden and
Ton van Vliet Large shear deformation of particle gels
studied by Brownian Dynamics simulations 303--306
Audun Bakk and
Paul G. Dommersnes and
Alex Hansen and
Johan S. Hòye and
Kim Sneppen and
Mogens H. Jensen Thermodynamics of proteins: Fast folders
and sharp transitions . . . . . . . . . 307--312
Pernille Hòyrup and
Kent Jòrgensen and
Ole G. Mouritsen Nano-scale structure in membranes in
relation to enzyme action-computer
simulation vs. experiment . . . . . . . 313--320
Hans Jörg Limbach and
Christian Holm Conformational properties of poor
solvent polyelectrolytes . . . . . . . . 321--324
P. Ballone and
R. O. Jones Density functional/Monte Carlo study of
ring-opening polymerization . . . . . . 325--330
J.-W. van der Horst and
P. A. Bobbert and
W. F. Pasveer and
M. A. J. Michels and
G. Brocks and
P. J. Kelly Excitons in conjugated polymers from
first principles . . . . . . . . . . . . 331--334
P. E. Dyshlovenko Adaptive numerical method for
Poisson--Boltzmann equation and its
application . . . . . . . . . . . . . . 335--338
M. R. Ejtehadi and
R. Everaers Rigid-body formalism for simulating
macromolecules . . . . . . . . . . . . . 339--341
Susumu Fujiwara and
Tetsuya Sato Molecular dynamics simulation of a
single polymer chain in vacuum and in
solution . . . . . . . . . . . . . . . . 342--345
Hiroaki Nakamura and
Susumu Fujiwara and
Tetsuya Sato Dynamics of orientationally ordered
domains in a short chain-molecule
system: Size dependence of domain
oscillation . . . . . . . . . . . . . . 346--349
Nguyen Hoang Phuong and
Guido Germano and
Friederike Schmid The direct correlation function in
nematic liquid crystals from computer
simulation . . . . . . . . . . . . . . . 350--353
M. J. Krawczyk and
K. Kulakowski and
A. Z. Maksymowicz New cellular automaton designed to
simulate geometration in gel
electrophoresis . . . . . . . . . . . . 354--357
T. Kreer and
M. H. Müser and
K. Binder Frictional drag between polymer bearing
surfaces . . . . . . . . . . . . . . . . 358--361
M. F. Lednei and
I. P. Pinkevich and
V. Yu. Reshetnyak and
T. J. Sluckin Computer modeling of light scattering in
filled liquid crystals . . . . . . . . . 362--365
V. Rossokhaty and
N. Rossokhata Mathematical model of a biosensor with
multilayer charged membrane . . . . . . 366--369
W. Strepp and
S. Sengupta and
M. Lohrer and
P. Nielaba Phase transitions of hard and soft disks
in external periodic potentials: a Monte
Carlo study . . . . . . . . . . . . . . 370--373
G. Sutmann and
B. Steffen Correction of finite size effects in
molecular dynamics applied to the
friction coefficient of a Brownian
particle . . . . . . . . . . . . . . . . 374--377
P. Virnau and
M. Müller and
L. González MacDowell and
K. Binder Phase diagrams of hexadecane-CO$_2$
mixtures from histogram-reweighting
Monte Carlo . . . . . . . . . . . . . . 378--381
Wolfhard Janke and
Martin Weigel Numerical tests of CFT conjectures for
$3$D spin systems . . . . . . . . . . . 382--387
S. Chandrasekharan and
B. Scarlet and
U.-J. Wiese From spin ladders to the $2$D $ {\rm
O}(3) $ model at non-zero density . . . 388--393
Andreas Krug and
Andreas Buchleitner Chaotic ionization of non-classical
alkali Rydberg states-computational
physics beats experiment . . . . . . . . 394--397
Christof Gattringer and
C. B. Lang Improving the Dirac operator in lattice
QCD . . . . . . . . . . . . . . . . . . 398--401
Anonymous APE computers-past, present and future 402--409
Paulo Murilo Castro de Oliveira Simple dynamics for broad histogram
method . . . . . . . . . . . . . . . . . 410--413
Naomichi Hatano and
James E. Gubernatis Double degeneracy in the ground state of
the $3$D $ \pm J $ spin glass . . . . . 414--418
Malte Henkel and
Michel Pleimling Anisotropic scaling and generalized
conformal invariance at Lifshitz points 419--422
Gernot Münster and
Christel Kamp Distribution of instanton sizes in a
simplified instanton gas model . . . . . 423--426
P. E. Berche and
C. Chatelain and
B. Berche and
W. Janke Crossover effects in the bond-diluted
Ising model in three dimensions . . . . 427--430
C. Chatelain and
P.-E. Berche and
B. Berche and
W. Janke Influence of dilution on the strong
first-order phase transition of the $3$D
$4$-state Potts model . . . . . . . . . 431--434
Meik Hellmund and
Wolfhard Janke High-temperature series expansions for
random-bond Potts models on $ Z^d $ . . 435--438
Helmut G. Katzgraber Monte Carlo simulations of vector spin
glasses at low temperatures . . . . . . 439--442
Wolfhard Janke and
Ralph Kenna Density of partition function zeroes and
phase transition strength . . . . . . . 443--446
A. K. Murtazaev and
I. K. Kamilov and
M. A. Magomedov Monte Carlo investigation of critical
phenomena in models of real magnetics
with crossovers . . . . . . . . . . . . 447--450
F. Karsch and
Ch. Schmidt and
S. Stickan Common features of deconfining and
chiral critical points in QCD and the
three state Potts model in an external
field . . . . . . . . . . . . . . . . . 451--454
Carlos Frontera and
Eduard Vives ''Avalanches'' in the ground state of
the $3$D Gaussian random field Ising
model driven by an external field . . . 455--458
Anonymous Contents . . . . . . . . . . . . . . . . xvii--xxvi
Norbert Attig and
Rüdiger Esser and
Manfred Kremer Preface . . . . . . . . . . . . . . . . xi--xvi
David K. Hoffman and
Donald J. Kouri and
Eli Pollak Reducing Gaussian noise using
distributed approximating functionals 759--769
J. M. Franco Runge--Kutta--Nyström methods adapted to
the numerical integration of perturbed
oscillators . . . . . . . . . . . . . . 770--787
Arash A. Mostofi and
Chris-Kriton Skylaris and
Peter D. Haynes and
Mike C. Payne Total-energy calculations on a real
space grid with localized functions and
a plane-wave basis . . . . . . . . . . . 788--802
J. M. Hayes and
J. C. Greer Extraction of analytical potential
function parameters from ab initio
potential energy surfaces and analytical
forces . . . . . . . . . . . . . . . . . 803--825
A. Ohsaki and
A. Igarashi and
T. Kai and
S. Nakazaki Radial integrals in the Coulomb--Born
approximation: Multipole transitions . . 826--833
L. Gr. Ixaru LILIX --- a package for the solution of
the coupled channel Schrödinger equation 834--852
P. D. Stevenson Analytic angular momentum coupling
coefficient calculators . . . . . . . . 853--858
Anonymous Contents to volume 147 . . . . . . . . . 859--869
Anonymous Author index to volume 147 . . . . . . . 870--883
Anonymous Program index to volume 147 . . . . . . 884--884
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--v
Alan R. Kerstein One-Dimensional Turbulence: a new
approach to high-fidelity subgrid
closure of turbulent flow simulations 1--16
Z. J. Wang and
A. J. Przekwas and
Yen Liu A FV-TD electromagnetic solver using
adaptive Cartesian grids . . . . . . . . 17--29
Zhenya Yan Extended Jacobian elliptic function
algorithm with symbolic computation to
construct new doubly-periodic solutions
of nonlinear differential equations . . 30--42
Jaroslav M. Ilnytskyi and
Mark R. Wilson A domain decomposition molecular
dynamics program for the simulation of
flexible molecules of
spherically-symmetrical and nonspherical
sites. II. Extension to NVT and NPT
ensembles . . . . . . . . . . . . . . . 43--58
G. Avdelas and
A. Konguetsof and
T. E. Simos A generator of dissipative methods for
the numerical solution of the Schrödinger
equation . . . . . . . . . . . . . . . . 59--73
A. V. Smirnov and
D. D. Johnson Efficiency and scaling of the screened
Korringa--Kohn--Rostoker method for
large-scale calculations . . . . . . . . 74--80
Anna Hasenfratz and
Francesco Knechtli Simulation of dynamical fermions with
smeared links . . . . . . . . . . . . . 81--86
S. R. Slabospitsky and
L. Sonnenschein TopReX 3.25 --- a specialized event
generator for use with PYTHIA . . . . . 87--102
S. Fritzsche and
C. Froese Fischer and
G. Gaigalas RELCI: a program for relativistic
configuration interaction calculations 103--123
Stefan Goedecker Optimization and parallelization of a
force field for silicon using OpenMP . . 124--135
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--vii
K. Takizawa and
T. Yabe and
T. Nakamura Multi-dimensional semi-Lagrangian scheme
that guarantees exact conservation . . . 137--159
Tomoyoshi Shimobaba and
Sinsuke Hishinuma and
Tomoyoshi Ito Special-purpose computer for holography
HORN-4 with recurrence algorithm . . . . 160--170
Wataru Kunishima and
Tetsuji Tokihiro and
Hiroshi Tanaka Error estimation of recursive orthogonal
polynomial expansion method for large
Hamiltonian system . . . . . . . . . . . 171--181
Hajime Takashima and
Takashi Amisaki and
Kunihiro Kitamura and
Umpei Nagashima Numerical accuracy on $ F_m(z) $ for
molecular integral calculations . . . . 182--187
Cem Özdogan and
Gülay Dereli and
Tahir Çagin $ O(N) $ parallel tight binding
molecular dynamics simulation of carbon
nanotubes . . . . . . . . . . . . . . . 188--205
Ben Leimkuhler A separated form of Nosé dynamics for
constant temperature and pressure
simulation . . . . . . . . . . . . . . . 206--213
Adrian Doicu and
Franz Schreier and
Michael Hess Iteratively regularized Gauss--Newton
method for atmospheric remote sensing 214--226
A. E. Perdiou and
V. S. Kalantonis and
E. A. Perdios and
M. N. Vrahatis Application of efficient composite
methods for computing with certainty
periodic orbits in molecular systems . . 227--235
Marcelo B. Ribeiro A Fortran code for null geodesic
solutions in the
Lema\^\itre--Tolman--Bondi spacetime . . 236--241
Min Gao and
Yasuyuki Kato and
Masaaki Ito A REDUCE package for finding conserved
densities of systems of nonlinear
difference-difference equations . . . . 242--255
Zhi-bin Li and
Yin-ping Liu RATH: a Maple package for finding
travelling solitary wave solutions to
nonlinear evolution equations . . . . . 256--266
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--v
Takayuki Utsumi and
James Koga Accurate numerical method for the
solutions of the Schrödinger equation and
the radial integrals based on the CIP
method . . . . . . . . . . . . . . . . . 267--280
Takayuki Utsumi and
James Koga New numerical method for the solutions
of the MCDF equations based on the CIP
method . . . . . . . . . . . . . . . . . 281--290
H.-J. Cho and
Shih-Ching Lo Monotone iterative simulation of the
multilane traffic dispersion model . . . 291--298
Dirk Reith and
Hendrik Meyer and
Florian Müller-Plathe CG-OPT: a software package for automatic
force field design . . . . . . . . . . . 299--313
Stefan Weinzierl Fast evolution of parton distributions 314--326
Axel Arnold and
Christian Holm MMM2D: a fast and accurate summation
method for electrostatic interactions in
$2$D slab geometries . . . . . . . . . . 327--348
G. Gaigalas and
S. Fritzsche Pure spin-angular momentum coefficients
for non-scalar one-particle operators in
$ j j $-coupling . . . . . . . . . . . . 349--351
Anonymous Contents to volume 148 . . . . . . . . . 353--355
Anonymous Author index to volume 148 . . . . . . . 356--358
Anonymous Program index to volume 148 . . . . . . 359--359
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--v
Claire C. M. Samson and
Wim Klopper and
Trygve Helgaker Computation of two-electron Gaussian
integrals for wave functions including
the correlation factor $ r_{12} \exp ( -
\gamma r_{12}^2) $ . . . . . . . . . . . 1--10
Zhenya Yan and
George Bluman New compacton soliton solutions and
solitary patterns solutions of
nonlinearly dispersive Boussinesq
equations . . . . . . . . . . . . . . . 11--18
Mohamed Sabbane and
Mohamed Tij Calculation algorithm for the
collisional moments of the Boltzmann
equation for Maxwell molecules . . . . . 19--29
Shuji Ogata and
Fuyuki Shimojo and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta Hybrid quantum mechanical/molecular
dynamics simulation on parallel
computers: density functional theory on
real-space multigrids . . . . . . . . . 30--38
G. Gaigalas and
S. Fritzsche Maple procedures for the coupling of
angular momenta. VI. LS--$ j j $
transformations . . . . . . . . . . . . 39--60
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--vii
Fathollah Varnik Simulation of planar systems at constant
normal pressure: Is it also possible to
keep the plate separation constant? . . 61--70
Piotr Piecuch and
Stanislaw A. Kucharski and
Karol Kowalski and
Monika Musial Efficient computer implementation of the
renormalized coupled-cluster methods:
The R-CCSD[T], R-CCSD(T), CR-CCSD[T],
and CR-CCSD(T) approaches . . . . . . . 71--96
Roger Barlow A calculator for confidence intervals 97--102
G. Bélanger and
F. Boudjema and
A. Pukhov and
A. Semenov micrOMEGAs: a program for calculating
the relic density in the MSSM . . . . . 103--120
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--v
M. A. Stijnman and
R. H. Bisseling and
G. T. Barkema Partitioning $3$D space for parallel
many-particle simulations . . . . . . . 121--134
S. S. Gousheh and
H. R. Sepangi and
K. Ghafoori-Tabrizi A method for solving systems of
non-linear differential equations with
moving singularities . . . . . . . . . . 135--141
B. P. Kersevan and
E. Richter-W\kas The Monte Carlo Event Generator AcerMC
version 1.0 with interfaces to PYTHIA
6.2 and HERWIG 6.3 . . . . . . . . . . . 142--194
Anonymous Contents to volume 149 . . . . . . . . . 195--196
Anonymous Author index to volume 149 . . . . . . . 197--198
Anonymous Program index to volume 149 . . . . . . 199--199
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--v
Sergej V. Aksenov and
Michael A. Savageau and
Ulrich D. Jentschura and
Jens Becher and
Gerhard Soff and
Peter J. Mohr Application of the combined
nonlinear-condensation transformation to
problems in statistical analysis and
theoretical physics . . . . . . . . . . 1--20
Lucretiu M. Popescu A geometry modeling system for ray
tracing or particle transport Monte
Carlo simulation . . . . . . . . . . . . 21--30
Han-Taw Chen and
Kuo-Chi Liu Analysis of non-Fickian diffusion
problems in a composite medium . . . . . 31--42
E. Mainegra and
R. Capote Nuclear state density calculations: An
exact recursive approach . . . . . . . . 43--52
J. W. Krogh and
M. Wierzbowska The condensation energy of the
homogeneous superconducting gas . . . . 53--63
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--vii
A. Jabbarzadeh and
J. D. Atkinson and
R. I. Tanner A parallel algorithm for molecular
dynamics simulation of branched
molecules . . . . . . . . . . . . . . . 65--84
Pawel Salek A wave-packet technique to simulate
resonant X-ray scattering cross sections 85--98
S. Wolf MC3D-3D continuum radiative transfer,
Version 2 . . . . . . . . . . . . . . . 99--115
L. Gr. Ixaru and
G. Vanden Berghe and
H. De Meyer Exponentially fitted variable two-step
BDF algorithm for first order ODEs . . . 116--128
Anonymous A Beowulf-class computing cluster for
the Monte Carlo production of the LHCb
experiment . . . . . . . . . . . . . . . 129--139
L. A. A. Nikolopoulos A package for the ab-initio calculation
of one- and two-photon cross sections of
two-electron atoms, using a CI B-splines
method . . . . . . . . . . . . . . . . . 140--165
Elena Accomando and
Alessandro Ballestrero and
Ezio Maina WPHACT 2.0: a fully massive Monte Carlo
generator for four fermion physics at $
e^+ e^- $ colliders . . . . . . . . . . 166--196
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--v
T. J. Adye and
A. Dorigo and
R. Dubitzky and
A. Forti and
S. J. Gowdy and
G. Hamel de Monchenault and
R. G. Jacobsen and
D. Kirkby and
S. Kluth and
E. Leonardi and
A. Salnikov and
L. Wilden KangaROO: Handling the micro-DST of the
BaBar experiment with ROOT . . . . . . . 197--214
Ali Liaqat and
Makoto Fukuhara and
Tatsuoki Takeda Optimal estimation of parameters of
dynamical systems by neural network
collocation method . . . . . . . . . . . 215--234
D. El-Moghraby and
R. G. Johnson and
P. Harrison Calculating modes of quantum wire and
dot systems using a finite differencing
technique . . . . . . . . . . . . . . . 235--246
F. Filbet and
E. Sonnendrücker Comparison of Eulerian Vlasov solvers 247--266
Harald Forbert and
Dominik Marx Calculation of the permanent of a sparse
positive matrix . . . . . . . . . . . . 267--273
M. S. Zakynthinaki and
Y. G. Saridakis Stochastic optimization for a tip-tilt
adaptive correcting system . . . . . . . 274--292
P. Blaudeck and
K. H. Hoffmann Ground states for condensed amorphous
systems: Optimizing annealing schemes 293--299
Masato Ida An improved unified solver for
compressible and incompressible fluids
involving free surfaces. II.
Multi-time-step integration and
applications . . . . . . . . . . . . . . 300--322
Masato Ida Erratum to ``An improved unified solver
for compressible and incompressible
fluids involving free surfaces. II.
Multi-time-step integration and
applications'': [Comp. Phys. Commun. \bf
150 (2003) 300--322] . . . . . . . . . . 323--323
Anonymous Contents to volume 150 . . . . . . . . . 324--325
Anonymous Author index to volume 150 . . . . . . . 326--328
Anonymous Program index to volume 150 . . . . . . 329--329
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--v
Anonymous Publisher's note . . . . . . . . . . . . vii--vii
Sadao Isotani and
Américo Tsuneo Fujii A grid procedure applied to the
determination of parameters of a kinetic
process . . . . . . . . . . . . . . . . 1--7
J. A. Breslau and
S. C. Jardin A parallel algorithm for global magnetic
reconnection studies . . . . . . . . . . 8--24
Hashim A. Yousif and
Richard Melka Computing Bessel functions of the second
kind in extreme parameter regimes . . . 25--34
M. L. Matin and
P. J. Daivis and
B. D. Todd Cell neighbor list method for planar
elongational flow: rheology of a
diatomic fluid . . . . . . . . . . . . . 35--46
L. A. A. Nikolopoulos and
L. B. Madsen Complex-scaled Hartree--Fock wave
functions for the frozen core: a $ {B} $
spline approach . . . . . . . . . . . . 47--59
Miguel A. L. Marques and
Alberto Castro and
George F. Bertsch and
Angel Rubio \tt octopus: a first-principles tool for
excited electron-ion dynamics . . . . . 60--78
Cibrán Santamarina Rios and
Juan José Saborido Silva An implementation of atomic form factors 79--88
B. Mendes and
A. Pereira Parallel Monte Carlo Driver (PMCD)-a
software package for Monte Carlo
simulations in parallel . . . . . . . . 89--95
P. Alexander and
A. de la Torre A program for the simulation and
analysis of open atmospheric balloon
soundings . . . . . . . . . . . . . . . 96--120
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--vii
J. L. Klepeis and
M. J. Pieja and
C. A. Floudas A new class of hybrid global
optimization algorithms for peptide
structure prediction: integrated hybrids 121--140
H. Yoshiki The cross sections for one phonon
emission and absorption by slow neutrons
in superfluid liquid Helium . . . . . . 141--148
Jason W. Bates Reconstruction of Ross' linear-mixing
model for the equation of state of
deuterium . . . . . . . . . . . . . . . 149--170
E. L. Kosarev and
A. Ya. Shul'man and
M. A. Tarasov and
T. Lindström Deconvolution problems and
superresolution in Hilbert-transform
spectroscopy based on a.c. Josephson
effect . . . . . . . . . . . . . . . . . 171--186
R. Martinazzo and
E. Bodo and
F. A. Gianturco A modified variable-phase algorithm for
multichannel scattering with long-range
potentials . . . . . . . . . . . . . . . 187--198
A. Orbán and
B. Sulik The evaluation of transition matrix
elements for atomic excitations by a
screened Coulomb potential . . . . . . . 199--215
S. Tsuno and
K. Sato and
T. Abe and
J. Fujimoto and
T. Ishikawa and
Y. Kurihara and
S. Odaka and
Y. Takaiwa GR@PPA\_4b: a four bottom quark
production event generator for $ p p / p
p \nu $ collisions . . . . . . . . . . . 216--240
H. M. Sun and
J. B. Wang and
J. Pan An effective algorithm for simulating
acoustical wave propagation . . . . . . 241--249
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--v
L. Calmels and
J. E. Inglesfield and
S. Crampin and
E. Arola and
Th. Rasing Complex frequency technique for linear
and second harmonic optical properties
of metallic surfaces . . . . . . . . . . 251--264
J. Auer and
E. Krotscheck Collective mode formulation of the
response algorithm for solving
Kohn--Sham equations . . . . . . . . . . 265--271
I. P. Omelyan and
I. M. Mryglod and
R. Folk Symplectic analytically integrable
decomposition algorithms:
classification, derivation, and
application to molecular dynamics,
quantum and celestial mechanics
simulations . . . . . . . . . . . . . . 272--314
I. C. Demetriou L1PMA: a Fortran 77 package for best $
L_1 $ piecewise monotonic data smoothing 315--338
Karol Kolodziej eett6f v. 1.0: a program for top quark
pair production and decay into 6
fermions at linear colliders . . . . . . 339--353
D. Van Dyck and
V. Fack New heuristic approach to the
calculation of general recoupling
coefficients . . . . . . . . . . . . . . 354--368
B. Abu-Ibrahim and
Y. Ogawa and
Y. Suzuki and
I. Tanihata Cross section calculations in Glauber
model: I. Core plus one-nucleon case . . 369--386
Anonymous Contents to volume 151 . . . . . . . . . 387--388
Anonymous Author index to volume 151 . . . . . . . 389--391
Anonymous Program index to volume 151 . . . . . . 392--393
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--v
Zhenya Yan The Riccati equation with variable
coefficients expansion algorithm to find
more exact solutions of nonlinear
differential equations . . . . . . . . . 1--8
I. A. Ivanov and
M. W. J. Bromley and
J. Mitroy Orthogonalising pseudo-potentials in
scattering calculations . . . . . . . . 9--24
Zhenya Yan Modified nonlinearly dispersive $ m K(m,
n, k) $ equations: I. New compacton
solutions and solitary pattern solutions 25--33
Fabrice Deluzet Mathematical modeling of plasma opening
switches . . . . . . . . . . . . . . . . 34--54
S. Jadach Foam: a general-purpose cellular Monte
Carlo event generator . . . . . . . . . 55--100
A. N. Grum-Grzhimailo MJK: a program to calculate observable
quantities in electron-atom collisions 101--119
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--vii
Zoltán Fodor and
Sándor D. Katz and
Gábor Papp Better than \${l/Mflops} sustained: a
scalable {PC}-based parallel computer
for lattice {QCD} . . . . . . . . . . . 121--134
T. Toeda and
M. Lamanna and
V. Duic and
A. Manara Conditions database system of the
COMPASS experiment . . . . . . . . . . . 135--143
Daisuke Takahashi Efficient implementation of parallel
three-dimensional FFT on clusters of PCs 144--150
D. Toffoli and
P. Decleva Least squares B-spline solutions of the
radial Dirac equation in the continuum 151--164
R. Krivec and
V. B. Mandelzweig Quasilinearization approach to quantum
mechanics . . . . . . . . . . . . . . . 165--174
A. Ballestrero and
R. Chierici and
F. Cossutti and
E. Migliore Four-fermion simulation at LEP2 in
DELPHI . . . . . . . . . . . . . . . . . 175--190
Peter Koval and
Stephan Fritzsche Relativistic wave and Green's functions
for hydrogen-like ions . . . . . . . . . 191--207
A. M. Ovcharenko and
S. I. Golubov and
C. H. Woo and
Hanchen Huang GMIC++: Grouping method in C++: an
efficient method to solve large number
of Master equations . . . . . . . . . . 208--226
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--v
Steven J. Plimpton and
David B. Seidel and
Michael F. Pasik and
Rebecca S. Coats and
Gary R. Montry A load-balancing algorithm for a
parallel electromagnetic
particle-in-cell code . . . . . . . . . 227--241
R. Glowinski and
P. Lin and
X.-B. Pan An operator-splitting method for a
liquid crystal model . . . . . . . . . . 242--252
Harald P. Pfeiffer and
Lawrence E. Kidder and
Mark A. Scheel and
Saul A. Teukolsky A multidomain spectral method for
solving elliptic equations . . . . . . . 253--273
T. E. Simos and
Jesus Vigo-Aguiar A dissipative exponentially-fitted
method for the numerical solution of the
Schrödinger equation and related problems 274--294
E. Calzavarini and
L. Sartori and
F. Schifano and
R. Tripiccione and
A. Viceré Matched filters for coalescing binaries
detection on massively parallel
computers . . . . . . . . . . . . . . . 295--306
Yiming Li and
Kuen-Yu Huang A novel numerical approach to
heterojunction bipolar transistors
circuit simulation . . . . . . . . . . . 307--316
C. A. Bertulani and
C. M. Campbell and
T. Glasmacher A computer program for nuclear
scattering at intermediate and high
energies . . . . . . . . . . . . . . . . 317--340
Anonymous Contents to volume 152 . . . . . . . . . 341--342
Anonymous Author index to volume 152 . . . . . . . 343--344
Anonymous Program index to volume 152 . . . . . . 345--345
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--v
Zhenya Yan Modified nonlinearly dispersive mK (
$m$, $n$, $k$ ) equations: II. Jacobi
elliptic function solutions . . . . . . 1--16
Engui Fan and
H. H. Dai A direct approach with computerized
symbolic computation for finding a
series of traveling waves to nonlinear
equations . . . . . . . . . . . . . . . 17--30
L. Giusti and
C. Hoelbling and
M. Lüscher and
H. Wittig Numerical techniques for lattice QCD in
the $ \epsilon $-regime . . . . . . . . 31--51
Shujun Li and
Xuanqin Mou and
Yuanlong Cai and
Zhen Ji and
Jihong Zhang On the security of a chaotic encryption
scheme: problems with computerized chaos
in finite computing precision . . . . . 52--58
Adrian Doicu and
Franz Schreier and
Michael Hess Iteratively regularized Gauss--Newton
method for bound-constraint problems in
atmospheric remote sensing . . . . . . . 59--65
Yasuhiro Inoue and
Yu Chen and
Hirotada Ohashi On the density correlation of the
spontaneous fluctuation in a real-coded
lattice gas . . . . . . . . . . . . . . 66--70
J. H. Jeong and
M. S. Jhon and
J. S. Halow and
J. van Osdol Smoothed particle hydrodynamics:
Applications to heat conduction . . . . 71--84
J. M. Butterworth and
J. P. Couchman and
B. E. Cox and
B. M. Waugh KtJet: a C++ implementation of the $
K_\perp $ clustering algorithm . . . . . 85--96
J. M. Quesada and
R. Capote and
A. Molina and
M. Lozano Dispersion relations in the nuclear
optical model . . . . . . . . . . . . . 97--105
J. Fujimoto and
T. Ishikawa and
M. Jimbo and
T. Kaneko and
K. Kato and
S. Kawabata and
T. Kon and
M. Kuroda and
Y. Kurihara and
Y. Shimizu and
H. Tanaka GRACE/SUSY: Automatic generation of tree
amplitudes in the Minimal Supersymmetric
Standard Model . . . . . . . . . . . . . 106--134
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--vii
Kyung Joong Kim Quadrature rules for the integration of
the product of two oscillatory functions
with different frequencies . . . . . . . 135--144
Zhenya Yan The new extended Jacobian elliptic
function expansion algorithm and its
applications in nonlinear mathematical
physics equations . . . . . . . . . . . 145--154
Johannes Gutleber and
Steven Murray and
Luciano Orsini Towards a homogeneous architecture for
high-energy physics data acquisition
systems . . . . . . . . . . . . . . . . 155--163
J. M. Butterworth and
S. Butterworth JetWeb: a WWW interface and database for
Monte Carlo tuning and validation . . . 164--178
P. Amico and
L. Bosi and
C. Cattuto and
L. Gammaitoni and
F. Marchesoni and
M. Punturo and
F. Travasso and
H. Vocca A parallel Beowulf-based system for the
detection of gravitational waves in
interferometric detectors . . . . . . . 179--189
Shiwu Gao Linear-scaling parallelization of the
WIEN package with MPI . . . . . . . . . 190--198
J. I. Ramos Linearization methods in classical and
quantum mechanics . . . . . . . . . . . 199--208
G. De Fabritiis and
P. V. Coveney Dynamical geometry for multiscale
dissipative particle dynamics . . . . . 209--226
D. A. Barlow PHASECALC: a code for the calculation of
pseudobinary phase diagrams using no
adjustable parameters . . . . . . . . . 227--232
Nikolas Kauer SINGINT: Automatic numerical integration
of singular integrands . . . . . . . . . 233--243
Robert V. Harlander and
Matthias Steinhauser rhad: a program for the evaluation of
the hadronic $R$-ratio in the
perturbative regime of QCD . . . . . . . 244--274
W. Porod SPheno, a program for calculating
supersymmetric spectra, SUSY particle
decays and SUSY particle production at $
e^+ e^- $ colliders . . . . . . . . . . 275--315
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--v
R. Keppens and
M. Nool and
G. Tóth and
J. P. Goedbloed Adaptive Mesh Refinement for
conservative systems: multi-dimensional
efficiency evaluation . . . . . . . . . 317--339
P. J. Love and
M. Nekovee and
P. V. Coveney and
J. Chin and
N. González-Segredo and
J. M. R. Martin Simulations of amphiphilic fluids using
mesoscale lattice-Boltzmann and
lattice-gas methods . . . . . . . . . . 340--358
Yiming Li A parallel monotone iterative method for
the numerical solution of
multi-dimensional semiconductor Poisson
equation . . . . . . . . . . . . . . . . 359--372
Kotoyo Hoshina and
Keisuke Fujii and
Osamu Nitoh Development of a Geant4 solid for stereo
mini-jet cells in a cylindrical drift
chamber . . . . . . . . . . . . . . . . 373--391
Cesar R. S. da Silva Optimizing Metropolis Monte Carlo
simulations of semiconductors . . . . . 392--396
Bernd A. Berg Multicanonical simulations step by step 397--406
P. Nikunen and
M. Karttunen and
I. Vattulainen How would you integrate the equations of
motion in dissipative particle dynamics
simulations? . . . . . . . . . . . . . . 407--423
S. Fritzsche and
T. Inghoff and
M. Tomaselli Maple procedures for the coupling of
angular momenta. VII. Extended and
accelerated computations . . . . . . . . 424--444
Shuji Ogata and
Timothy J. Campbell and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta and
Satyavani Vemparala Scalable and portable implementation of
the fast multipole method on parallel
computers . . . . . . . . . . . . . . . 445--461
A. Denner and
S. Dittmaier and
M. Roth and
D. Wackeroth RacoonWW1.3: a Monte Carlo program for
four-fermion production at $ e^+ e^- $
colliders . . . . . . . . . . . . . . . 462--507
Anonymous Contents to volume 153 . . . . . . . . . 509--511
Anonymous Author index to volume 153 . . . . . . . 512--515
Anonymous Program index to volume 153 . . . . . . 516--517
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--vii
Attilio Cucchieri and
Tereza Mendes Critical slowing-down in $ {\rm SU}(2) $
Landau-gauge-fixing algorithms at $
\beta = \infty $ . . . . . . . . . . . . 1--48
Gh Adam and
S. Adam and
N. M. Plakida Reliability conditions in quadrature
algorithms . . . . . . . . . . . . . . . 49--64
M. Shoucri and
H. Gerhauser and
K.-H Finken Integration of the Vlasov equation along
characteristics in one and two
dimensions . . . . . . . . . . . . . . . 65--75
Sergei Manzhos and
Hans-Peter Loock Photofragment image analysis using the
Onion-Peeling Algorithm . . . . . . . . 76--87
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--vii
X. Thibert-Plante and
D. A. Yuen and
A. P. Vincent A simple spectral algorithm for solving
large-scale Poisson equation in $2$D . . 89--97
S. J. Allfrey and
R. Hatzky A revised $ \delta f $ algorithm for
nonlinear PIC simulation . . . . . . . . 98--104
Stefan Goedecker and
Mireille Boulet and
Thierry Deutsch An efficient $3$-dim FFT for plane wave
electronic structure calculations on
massively parallel machines composed of
multiprocessor nodes . . . . . . . . . . 105--110
S. A. Baeurle The stationary phase auxiliary field
Monte Carlo method: a new strategy for
reducing the sign problem of auxiliary
field methodologies . . . . . . . . . . 111--120
Ji Wu Shu and
Bing Wang and
Min Chen and
Jin Zhao Wang and
Wei Min Zheng Optimization techniques for parallel
force-decomposition algorithm in
molecular dynamic simulations . . . . . 121--130
R. Frühwirth A Gaussian-mixture approximation of the
Bethe--Heitler model of electron energy
loss by bremsstrahlung . . . . . . . . . 131--142
Rajiv V. Gavai and
Sourendu Gupta and
Robert Lacaze Speed and adaptability of overlap
fermion algorithms . . . . . . . . . . . 143--158
Philip L. Bartlett and
Andris T. Stelbovics Born total ionisation cross sections: An
algebraic computing program using Maple 159--174
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--v
L.-G. Eriksson and
P. Helander Simulation of runaway electrons during
tokamak disruptions . . . . . . . . . . 175--196
Fuding Xie and
Yong Chen An algorithmic method in Painlevé
analysis of PDE . . . . . . . . . . . . 197--204
Dumitru N. Vulcanov Calculation of the Dirac equation in
curved spacetimes with possible torsion
using Maple and REDUCE . . . . . . . . . 205--218
D. Van Dyck and
V. Fack GYutsis: heuristic based calculation of
general recoupling coefficients . . . . 219--232
A. Voigt Addendum to: ``Quantum disorder due to
singlet formation: The Plaquette
lattice'': [Comput. Phys. Commun. \bf
146 (2002) 125--128] . . . . . . . . . . 233--233
Anonymous Contents to volume 154 . . . . . . . . . 235--236
Anonymous Author index to volume 154 . . . . . . . 237--238
Anonymous Program index to volume 154 . . . . . . 239--239
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--v
François Gygi and
Jean-Luc Fattebert and
Eric Schwegler Computation of Maximally Localized
Wannier Functions using a simultaneous
diagonalization algorithm . . . . . . . 1--6
Vikram Bhagat and
Ranjan Bhattacharya and
Dhiranjan Roy On the evaluation of generalized
Bose--Einstein and Fermi--Dirac
integrals . . . . . . . . . . . . . . . 7--20
Tarcísio M. Rocha Filho and
Iram M. Gléria and
Annibal Figueiredo A novel approach for the stability
problem in non-linear dynamical systems 21--30
Alfred Uhlherr Parallel Monte Carlo simulations by
asynchronous domain decomposition . . . 31--41
D. Yu. Grigoriev and
E. Jankowski and
F. V. Tkachov Optimal Jet Finder . . . . . . . . . . . 42--64
Yin-ping Liu and
Zhi-bin Li A Maple package for finding exact
solitary wave solutions of coupled
nonlinear evolution equations . . . . . 65--76
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--vii
Shuguang Guan and
C.-H. Lai and
G. W. Wei Characterizing the spatiotemporal
dynamics of turbulence . . . . . . . . . 77--91
J. Butcher and
J. Carminati and
K. T. Vu A comparative study of some computer
algebra packages which determine the Lie
point symmetries of differential
equations . . . . . . . . . . . . . . . 92--114
Ryutaro Susukita and
Toshikazu Ebisuzaki and
Bruce G. Elmegreen and
Hideaki Furusawa and
Kenya Kato and
Atsushi Kawai and
Yoshinao Kobayashi and
Takahiro Koishi and
Geoffrey D. McNiven and
Tetsu Narumi and
Kenji Yasuoka Hardware accelerator for molecular
dynamics: MDGRAPE-2 . . . . . . . . . . 115--131
Yi-Min Tian and
Meng-Zhao Qin Explicit symplectic schemes for
investigating the evolution of vortices
in a rotating Bose--Einstein Condensate 132--143
D. M. McSherry and
S. F. C. O'Rourke and
D. S. F. Crothers Ion-atom\slash argon-calculation of
ionization cross sections by fast ion
impact for neutral target atoms ranging
from hydrogen to argon . . . . . . . . . 144--158
V. Antonuccio-Delogu and
U. Becciani and
D. Ferro FLY: a parallel tree $N$-body code for
cosmological simulations . . . . . . . . 159--179
M. Laforest Book Review: \booktitleFront Tracking
for Hyperbolic Conservation Laws: by H.
Holden and N.H. Risebro (Springer,
Berlin, 2002) ISBN 3-540-43289-2 . . . . 181--182
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--v
Anonymous Publisher's note . . . . . . . . . . . . vii--vii
JLQCD Collaboration and
S. Aoki and
M. Fukugita and
S. Hashimoto and
K.-I. Ishikawa and
N. Ishizuka and
Y. Iwasaki and
K. Kanaya and
T. Kaneko and
Y. Kuramashi and
M. Okawa and
N. Tsutsui and
A. Ukawa and
N. Yamada and
T. Yoshié An exact algorithm for any-flavor
lattice QCD with Kogut--Susskind fermion 183--208
M. Tamine Mean interface magnon dispersion curves
obtained by means of the matching
procedure . . . . . . . . . . . . . . . 209--220
Jian-Qiang Sun and
Meng-Zhao Qin Multi-symplectic methods for the coupled
$1$D nonlinear Schrödinger system . . . . 221--235
D. El-Moghraby and
R. G. Johnson and
P. Harrison The effect of inter-dot separation on
the finite difference solution of
vertically aligned coupled quantum dots 236--243
I. Fdez Galván and
M. L. Sánchez and
M. E. Martín and
F. J. Olivares del Valle and
M. A. Aguilar ASEP/MD: a program for the calculation
of solvent effects combining QM/MM
methods and the mean field approximation 244--259
Anonymous Contents to volume 155 . . . . . . . . . 261--262
Anonymous Author index to volume 155 . . . . . . . 263--265
Anonymous Program index to volume 155 . . . . . . 266--266
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--v
K. T. Waldeer The direct simulation Monte Carlo method
applied to a Boltzmann-like vehicular
traffic flow model . . . . . . . . . . . 1--12
J. Abad and
J. Sesma Successive derivatives of Whittaker
functions with respect to the first
parameter . . . . . . . . . . . . . . . 13--21
W. Russell Burdick and
Yousef Saad and
Leeor Kronik and
Igor Vasiliev and
Manish Jain and
James R. Chelikowsky Parallel implementation of
time-dependent density functional theory 22--42
H. De Raedt and
J. S. Kole and
K. F. L. Michielsen and
M. T. Figge Unified framework for numerical methods
to solve the time-dependent Maxwell
equations . . . . . . . . . . . . . . . 43--61
Alpha Collaboration and
Michele Della Morte and
Francesco Knechtli and
Juri Rolf and
Rainer Sommer and
Ines Wetzorke and
Ulli Wolff Simulating the Schrödinger functional
with two pseudo-fermions . . . . . . . . 62--72
T. Umeda and
Y. Omura and
T. Tominaga and
H. Matsumoto A new charge conservation method in
electromagnetic particle-in-cell
simulations . . . . . . . . . . . . . . 73--85
John V. Shebalin A spectral algorithm for solving the
relativistic Vlasov--Maxwell equations 86--94
R. Sánchez and
J. R. Martín-Solís and
B. Esposito ORCO: a numerical tool to study the
radial diffusion of runaway electrons in
tokamaks . . . . . . . . . . . . . . . . 95--107
H. Houili and
E. Tutis and
H. Lütjens and
M. N. Bussac and
L. Zuppiroli MOLED: Simulation of multilayer organic
light emitting diodes . . . . . . . . . 108--122
C. A. Bertulani RADCAP: a potential model tool for
direct capture reactions . . . . . . . . 123--141
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--vii
ALPHA Collaboration and
Ulli Wolff Monte Carlo errors with less errors . . 143--153
Alexander Abrashkevich and
I. V. Puzynin CANM, a program for numerical solution
of a system of nonlinear equations using
the continuous analog of Newton's method 154--170
Marco Picariello and
Emilio Torrente-Lujan Slavnov-Taylor1.0: a Mathematica package
for computation in BRST formalism . . . 171--179
Stefan Weinzierl gTybalt --- a free computer algebra
system . . . . . . . . . . . . . . . . . 180--198
Francisco Esquembre Easy Java Simulations: a software tool
to create scientific simulations in Java 199--204
G. Álvarez and
F. Montoya and
M. Romera and
G. Pastor Keystream cryptanalysis of a chaotic
cryptographic method . . . . . . . . . . 205--207
W. K. Wong and
L. P. Lee and
K. W. Wong Reply to the comment ``Keystream
cryptanalysis of a chaotic cryptographic
method'' . . . . . . . . . . . . . . . . 208--208
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--v
Martin Lüscher Solution of the Dirac equation in
lattice QCD using a domain decomposition
method . . . . . . . . . . . . . . . . . 209--220
A. Bel'kov and
S. Shulga Studies of angular correlations in the
decays $ B^0_s \to J / \psi \phi $ by
using the SIMUB generator . . . . . . . 221--240
B. Mohammed-Azizi and
D. E. Medjadi Single particle calculations for a
Woods--Saxon potential with triaxial
deformations, and large Cartesian
oscillator basis . . . . . . . . . . . . 241--282
J. S. Lee and
A. Pilaftsis and
M. Carena and
S. Y. Choi and
M. Drees and
J. Ellis and
C. E. M. Wagner CPsuperH: a computational tool for Higgs
phenomenology in the minimal
supersymmetric standard model with
explicit CP violation . . . . . . . . . 283--317
M. F. Lednei and
I. P. Pinkevich and
V. Yu Reshetnyak Corrigendum to: ``Computer modeling of
light scattering in filled liquid
crystals'': [Comput. Phys. Comm. \bf 147
(2002) 362--365] . . . . . . . . . . . . 318--318
Ronald J. Duchovic and
Yuri L. Volobuev and
Gillian C. Lynch and
Donald G. Truhlar and
Thomas C. Allison and
Albert F. Wagner and
Bruce C. Garrett and
Jose C. Corchado A correction to the POTLIB Library
described in ``POTLIB 2001: a potential
energy surface library for chemical
systems'': [Comput. Phys. Comm. \bf 144
(2002) 169--187] . . . . . . . . . . . . 319--322
Anonymous Contents to volume 156 . . . . . . . . . 323--325
Anonymous Author index to volume 156 . . . . . . . 326--328
Anonymous Program index to volume 156 . . . . . . 329--329
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--v
Takashige Sugie and
Keiji Horita and
Satoru Hosono and
Tomoyoshi Ito and
Toshikazu Ebisuzaki A special-purpose computer for exploring
similar protein sequences by the dynamic
programming method . . . . . . . . . . . 1--8
Shoufan Fang and
George Z. Gertner and
Alan A. Anderson Estimation of sensitivity coefficients
of nonlinear model input parameters
which have a multinormal distribution 9--16
Dimitris Zaharioudakis Tetrahedron methods for Brillouin zone
integration . . . . . . . . . . . . . . 17--31
F. D. Colavecchia and
G. Gasaneo \tt f1: a code to compute Appell's $ F_1
$ hypergeometric function . . . . . . . 32--38
P. Golonka and
T. Pierzchala and
Z. W\kas MC-TESTER: a universal tool for
comparisons of Monte Carlo predictions
for particle decays in high energy
physics . . . . . . . . . . . . . . . . 39--62
C. Barbot Decay of super-heavy particles: user
guide of the SHdecay program . . . . . . 63--86
Maximilian Kreuzer and
Harald Skarke PALP: a Package for Analysing Lattice
Polytopes with applications to toric
geometry . . . . . . . . . . . . . . . . 87--106
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--vii
F. S. Zaitsev and
A. G. Shishkin and
D. P. Kostomarov and
M. R. O'Brien and
R. J. Akers and
M. Gryaznevich and
A. B. Trefilov and
A. S. Yelchaninov The numerical solution of the
self-consistent evolution of plasma
equilibria . . . . . . . . . . . . . . . 107--120
Takayuki Utsumi and
Takashi Yabe and
James Koga and
Takayuki Aoki and
Masatoshi Sekine Accurate basis set by the CIP method for
the solutions of the Schrödinger equation 121--138
R. Fischer and
A. Staudt and
C. H. Keitel Simulation of atomic quantum dynamics in
combined intense laser and weak electric
fields . . . . . . . . . . . . . . . . . 139--146
C. Galeriu and
L. C. Lew Yan Voon and
R. Melnik and
M. Willatzen Modeling a nanowire superlattice using
the finite difference method in
cylindrical polar coordinates . . . . . 147--159
A. I. Ogoyski and
T. Someya and
S. Kawata Code OK1 --- Simulation of multi-beam
irradiation on a spherical target in
heavy ion fusion . . . . . . . . . . . . 160--172
L. R. U. Manssur and
R. Portugal The Canon package: a fast kernel for
tensor manipulators . . . . . . . . . . 173--180
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--v
V. S. Adamchik Symbolic and numeric computations of the
Barnes function . . . . . . . . . . . . 181--190
Yasmin Meleán and
Leonardo Di G. Sigalotti and
Anwar Hasmy On the SPH tensile instability in
forming viscous liquid drops . . . . . . 191--200
S. A. Baeurle Grand canonical auxiliary field Monte
Carlo: a new technique for simulating
open systems at high density . . . . . . 201--206
Udo Ziegler An ADI-based adaptive mesh Poisson
solver for the MHD code NIRVANA . . . . 207--216
P. Bogdanovich and
A. Momkauskait\.e A program for generating configuration
state lists in many-electron atoms . . . 217--225
A. J. Ramirez-Cuesta aCLIMAX 4.0.1, The new version of the
software for analyzing and interpreting
INS spectra . . . . . . . . . . . . . . 226--238
G. Gaigalas and
T. Zalandauskas and
S. Fritzsche Spectroscopic LSJ notation for atomic
levels obtained from relativistic
calculations . . . . . . . . . . . . . . 239--253
Anonymous Contents to volume 157 . . . . . . . . . 254--255
Anonymous Author index to volume 157 . . . . . . . 256--257
Anonymous Program index to volume 157 . . . . . . 258--259
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--v
Valéry Weber and
Claude Daul Evaluation of two-electron integrals
including the factors $ r_{12}^k \exp (
- \gamma r^2_{12}) $ over Cartesian
Gaussian functions . . . . . . . . . . . 1--11
J. I. Ramos Piecewise quasilinearization techniques
for singular boundary-value problems . . 12--25
R. P. Linna and
J. A. Åström and
J. Timonen Unconstrained periodic boundary
conditions for solid state elasticity 26--38
E. Lorin and
G. Zérah Recursion method for electronic
structure calculations . . . . . . . . . 39--46
Jens Kleimann and
Andreas Kopp and
Horst Fichtner and
Rainer Grauer and
Kai Germaschewski Three-dimensional MHD high-resolution
computations with CWENO employing
adaptive mesh refinement . . . . . . . . 47--56
M. A. Blanco and
E. Francisco and
V. Luaña GIBBS: isothermal-isobaric
thermodynamics of solids from energy
curves using a quasi-harmonic Debye
model . . . . . . . . . . . . . . . . . 57--72
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--vii
O. Oliveira and
P. J. Silva A global optimization method for Landau
gauge fixing in lattice QCD . . . . . . 73--88
Chongxun Pan and
Jan F. Prins and
Cass T. Miller A high-performance lattice Boltzmann
implementation to model flow in porous
media . . . . . . . . . . . . . . . . . 89--105
H. Kaya and
M. Kaplan and
H. Saygin A recursive algorithm for finding HDMR
terms for sensitivity analysis . . . . . 106--112
S. A. Elwakil and
S. K. El-Labany and
M. A. Zahran and
R. Sabry Exact travelling wave solutions for a
diffusion-convection equation in two and
three spatial dimensions . . . . . . . . 113--116
Jan Conrad A program for confidence interval
calculations for a Poisson process with
background including systematic
uncertainties: POLE 1.0 . . . . . . . . 117--123
T. M. Feil and
H. H. H. Homeier Programs for the approximation of real
and imaginary single- and multi-valued
functions by means of
Hermite--Padé-approximants . . . . . . . 124--135
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--vi
S. D. Katz and
B. C. Tóth Least-squared optimized polynomials for
smeared link actions . . . . . . . . . . 137--149
G. F. Schröder and
H. Grubmüller FRETsg: Biomolecular structure model
building from multiple FRET experiments 150--157
J. Dobaczewski and
P. Olbratowski Solution of the
Skyrme--Hartree--Fock--Bogolyubov
equations in the Cartesian deformed
harmonic-oscillator basis. (IV) HFODD
(v2.08i): a new version of the program 158--191
Woo-Pyo Hong Comment on ``A direct approach with
computerized symbolic computation for
finding a series of traveling waves to
nonlinear equations'' by Engui Fan and
H. H. Dai: [Comput. Phys. Commun. \bf
153 (2003) 17] . . . . . . . . . . . . . 192--195
Anonymous Contents to volume 158 . . . . . . . . . 196--197
Anonymous Author index to volume 158 . . . . . . . 198--199
Anonymous Program index to volume 158 . . . . . . 200--201
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--vi
Bertrand Bouriquet and
Yasuhisa Abe and
David Boilley KEWPIE: a dynamical cascade code for
decaying exited compound nuclei . . . . 1--18
Johannes Blümlein Algebraic relations between harmonic
sums and associated quantities . . . . . 19--54
C. J. Noble Evaluation of negative energy Coulomb
(Whittaker) functions . . . . . . . . . 55--62
F. V. Theos and
I. E. Lagaris and
D. G. Papageorgiou PANMIN: sequential and parallel global
optimization procedures with a variety
of options for the local search strategy 63--69
D. G. Papageorgiou and
I. N. Demetropoulos and
I. E. Lagaris MERLIN-3.1.1. A new version of the
Merlin optimization environment . . . . 70--71
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--viii
J. Dobnikar and
D. Halozan and
M. Brumen and
H.-H. von Grünberg and
R. Rzehak Poisson--Boltzmann Brownian dynamics of
charged colloids in suspension . . . . . 73--92
Ch. Schlier Error trends in Quasi-Monte Carlo
integration . . . . . . . . . . . . . . 93--105
Karol Kolodziej and
Fred Jegerlehner ee4f$ \gamma $ --- a program for $ e^+
e^- \to 4 f $, $ 4 f \gamma $ with
nonzero fermion masses . . . . . . . . . 106--120
C. Bahri and
D. J. Rowe and
J. P. Draayer Programs for generating Clebsch--Gordan
coefficients of SU(3) in SU(2) and SO(3)
bases . . . . . . . . . . . . . . . . . 121--143
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--vi
Elise de Doncker and
Yoshimitsu Shimizu and
Junpei Fujimoto and
Fukuko Yuasa Computation of loop integrals using
extrapolation . . . . . . . . . . . . . 145--156
Alexei Pankin and
Douglas McCune and
Robert Andre and
Glenn Bateman and
Arnold Kritz The tokamak Monte Carlo fast ion module
NUBEAM in the National Transport Code
Collaboration library . . . . . . . . . 157--184
Thomas DeGrand and
Stefan Schaefer Improving meson two-point functions in
lattice QCD . . . . . . . . . . . . . . 185--191
Chao-Hsi Chang and
Chafik Driouichi and
Paula Eerola and
Xing-Gang Wu BCVEGPY: an event generator for hadronic
production of the $ B_c $ meson . . . . 192--224
Iva Marija Toli\'c-Nòrrelykke and
Kirstine Berg-Sòrensen and
Henrik Flyvbjerg Matlab program for precision calibration
of optical tweezers . . . . . . . . . . 225--240
I. J. Thompson Erratum to ``COULCC: a
continued-fraction algorithm for Coulomb
functions of complex order with complex
arguments'': [Comput. Phys. Commun. \bf
36 (1985) 363--372] . . . . . . . . . . 241--242
I. J. Thompson Erratum to \booktitleModified Bessel
functions $ I \_ n u(z) $ and $ K_\nu
(z) $ of real order and complex argument
[Comput. Phys. Commun. 47 (1987)
245--257] . . . . . . . . . . . . . . . 243--244
Anonymous Contents to volume 159 . . . . . . . . . 245--246
Anonymous Author index to volume 159 . . . . . . . 247--248
Anonymous Program index to volume 159 . . . . . . 249--250
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--vi
A. G. Borisov and
S. V. Shabanov An application of the interpolating
scaling functions to wave packet
propagation . . . . . . . . . . . . . . 1--7
János Végh A simple ``embedded'' reasoning
inference engine with application
example in the X-ray Photoelectron
Spectroscopy . . . . . . . . . . . . . . 8--22
Zhongcheng Wang and
Yonghua Ge and
Yongming Dai and
Deyin Zhao A Mathematica program for the two-step
twelfth-order method with
multi-derivative for the numerical
solution of a one-dimensional Schrödinger
equation . . . . . . . . . . . . . . . . 23--45
Manoj Warrier and
Ralf Schneider and
Xavier Bonnin Subroutines for some plasma surface
interaction processes: physical
sputtering, chemical erosion, radiation
enhanced sublimation, backscattering and
thermal evaporation . . . . . . . . . . 46--68
Min Gao and
Yasuyuki Kato and
Masaaki Ito A REDUCE package for finding conserved
densities of systems of implicit
difference-difference equations . . . . 69--89
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--viii
Alexei V. Matveev and
Markus Mayer and
Notker Rösch Efficient symmetry treatment for the
nonrelativistic and relativistic
molecular Kohn--Sham problem. The
symmetry module of the program ParaGauss 91--119
Ji Qiang and
Robert L. Gluckstern Three-dimensional Poisson solver for a
charged beam with large aspect ratio in
a conducting pipe . . . . . . . . . . . 120--128
J. Wensch and
M. Däne and
W. Hergert and
A. Ernst The solution of stationary ODE problems
in quantum mechanics by Magnus methods
with stepsize control . . . . . . . . . 129--139
D. R. Mason and
R. E. Rudd and
A. P. Sutton Stochastic kinetic Monte Carlo
algorithms for long-range Hamiltonians 140--157
Lucas Bleicher and
José Marcos Sasaki and
Renata Villela Orloski and
Lisandro Pavie Cardoso and
Marcelo Assaoka Hayashi and
Jacobus Willibrordus Swart IonRock: software for solving strain
gradients of ion-implanted
semiconductors by X-ray diffraction
measurements and evolutionary
programming . . . . . . . . . . . . . . 158--165
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--vi
M. Tentyukov and
J. Fleischer Parallel computation of Feynman diagrams
with DIANA . . . . . . . . . . . . . . . 167--186
Po-Han Lee and
Yi Chen and
Soo-Chang Pei and
Yih-Yuh Chen Evidence of the correlation between
positive Lyapunov exponents and good
chaotic random number sequences . . . . 187--203
Vladislav Beskrovnyy and
Pascal Baldi A new algorithm for fast simulation of
optical spectra generated in a nonlinear
media . . . . . . . . . . . . . . . . . 204--212
Alessandro Cafarella and
Claudio Corian\`o Direct solution of renormalization group
equations of QCD in $x$-space: NLO
implementations at leading twist . . . . 213--242
Anonymous Contents to volume 160 . . . . . . . . . 243--244
Anonymous Author index to volume 160 . . . . . . . 245--246
Anonymous Program index to volume 160 . . . . . . 247--248
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--vi
Mikhail V. Korolkov and
Burkhard Schmidt Quantum molecular dynamics driven by
short and intense light pulses: Towards
the limits of the Floquet picture . . . 1--17
J. H. Cole and
L. C. L. Hollenberg and
S. Prawer An algorithm for simulating the Ising
model on a type-II quantum computer . . 18--26
Zhenhua Yao and
Jian-Sheng Wang and
Gui-Rong Liu and
Min Cheng Improved neighbor list algorithm in
molecular simulations using cell
decomposition and data sorting method 27--35
John Mandrekas GTNEUT: a code for the calculation of
neutral particle transport in plasmas
based on the Transmission and Escape
Probability method . . . . . . . . . . . 36--64
Gui-qiong Xu and
Zhi-bin Li Symbolic computation of the Painlevé test
for nonlinear partial differential
equations using Maple . . . . . . . . . 65--75
D. Binosi and
L. Theußl JaxoDraw: a graphical user interface for
drawing Feynman diagrams . . . . . . . . 76--86
I. J. Thompson and
F. M. Nunes and
B. V. Danilin FaCE: a tool for three body Faddeev
calculations with core excitation . . . 87--107
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--viii
N. Mohankumar and
Scott M. Auerbach On the use of higher-order formula for
numerical derivatives in scientific
computing . . . . . . . . . . . . . . . 109--118
Dermot McPeake and
J. F. McCann Discretization and solution of the
inhomogeneous Bogoliubov-de Gennes
equations . . . . . . . . . . . . . . . 119--128
Wei Zhang and
Zhiming Wu and
Genke Yang Chaotic network attractor in packet
traffic series . . . . . . . . . . . . . 129--142
A. I. Ogoyski and
S. Kawata and
T. Someya Code OK2 --- a simulation code of
ion-beam illumination on an arbitrary
shape and structure target . . . . . . . 143--150
Maria Blanco-Rey and
Pedro de Andres and
Georg Held and
David A. King A FORTRAN-90 Low-Energy Electron
Diffraction program (LEED90 v1.1) . . . 151--165
Maria Blanco-Rey and
Pedro de Andres and
Georg Held and
David A. King Molecular $t$-matrices for Low-Energy
Electron Diffraction (TMOL v1.1) . . . . 166--178
P. Parmananda Book Review: \booktitleNonlinear
Dynamics Integrability, Chaos and
Patterns: M. Lakshmanan and S.
Rjaseekar, Springer-Verlag, Berlin,
2002, ISBN 3-540-43908-0 . . . . . . . . 179--180
William G. Hoover Book Review: \booktitleComputational
Partial Differential Equations-Numerical
Methods and Diffpack Programming: Hans
Petter Langtangen, second ed.,
Springer-Verlag, Berlin, 2003, 855
pages, ISBN 3-540-43416-X, ISSN
1611-0994 . . . . . . . . . . . . . . . 181--182
Mordechai Shacham Book Review: \booktitleScientific
Computing with MATLAB: A. Quarteroni, F.
Saleri, Springer-Verlag, Berlin, 2003,
ISBN 3-540-44363-0 . . . . . . . . . . . 183--185
Anonymous Contents to volume 161 . . . . . . . . . 186--187
Anonymous Author index to volume 161 . . . . . . . 188--189
Anonymous Program index to volume 161 . . . . . . 190--190
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--vi
M. Nurhuda Does the dynamic stabilization reflect
the numerical instability of direct
integration of time dependent Schrödinger
equation? . . . . . . . . . . . . . . . 1--8
Gernot Schaller and
Michael Meyer-Hermann Kinetic and dynamic Delaunay
tetrahedralizations in three dimensions 9--23
Jean-Luc Fattebert and
François Gygi Linear scaling first-principles
molecular dynamics with controlled
accuracy . . . . . . . . . . . . . . . . 24--36
Takashige Sugie and
Tomoyoshi Ito and
Toshikazu Ebisuzaki A special-purpose computer for exploring
similar biological sequences: Bioler-2
with multi-pipeline and multi-sequence
architecture . . . . . . . . . . . . . . 37--50
N. Sanna and
G. Morelli SCELib2: the new revision of SCELib, the
parallel computational library of
molecular properties in the single
center approach . . . . . . . . . . . . 51--78
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--viii
Fethi Belkhouche and
Boumediene Belkhouche Successive linearizations of second
order multidimensional time-invariant
systems . . . . . . . . . . . . . . . . 79--88
G. Zuccaro and
G. Lapenta and
G. Maizza Particle in cell simulation of
combustion synthesis of TiC
nanoparticles . . . . . . . . . . . . . 89--101
Roman Goc Computer calculation of the Van Vleck
second moment for materials with
internal rotation of spin groups . . . . 102--112
S. Wolf and
N. V. Voshchinnikov Mie scattering by ensembles of particles
with very large size parameters . . . . 113--123
K. Rykhlinskaya and
S. Fritzsche Use of group theory for the analysis of
vibrational spectra . . . . . . . . . . 124--142
Véronique Bellanger and
Arnaud Courcelle and
Alain Petit A program to compute the two-step
excitation of mesospheric sodium atoms
for the Polychromatic Laser Guide Star
Project . . . . . . . . . . . . . . . . 143--150
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--vi
V. Ledoux and
M. Van Daele and
G. Vanden Berghe CP methods of higher order for
Sturm--Liouville and Schrödinger
equations . . . . . . . . . . . . . . . 151--165
Jong-Shinn Wu and
Kun-Chang Tseng and
Fu-Yuan Wu Parallel three-dimensional DSMC method
using mesh refinement and variable
time-step scheme . . . . . . . . . . . . 166--187
Sergio Romero and
Eladio Gutiérrez and
Luis F. Romero and
Oscar Plata and
Emilio L. Zapata Parallelization issues of a code for
physically-based simulation of fabrics 188--202
D. Baldwin and
Ü. Göktas and
W. Hereman Symbolic computation of hyperbolic
tangent solutions for nonlinear
differential-difference equations . . . 203--217
Anonymous Contents to volume 162 . . . . . . . . . 218--219
Anonymous Author index to volume 162 . . . . . . . 220--221
Anonymous Program index to volume 162 . . . . . . 222--223
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--vi
M. Brunetti and
V. Grandgirard and
O. Sauter and
J. Vaclavik and
L. Villard A semi-Lagrangian code for nonlinear
global simulations of electrostatic
drift-kinetic ITG modes . . . . . . . . 1--21
J. C. Brunelli PSEUDO: applications of streams and lazy
evaluation to integrable models . . . . 22--40
N. Almeida and
R. Alemany and
F. Glege and
J. C. da Silva and
J. Varela A software package for the configuration
of hardware devices following a generic
model . . . . . . . . . . . . . . . . . 41--52
Ashish Sharma and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta Scalable and portable visualization of
large atomistic datasets . . . . . . . . 53--64
Lorenza Viola Book Review: \booktitleQuantum
Computing: Mika Hirvensalo, (2001)
Springer-Verlag, Berlin ISBN
3-540-66783-0 . . . . . . . . . . . . . 65--66
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--viii
Thorsten Ohl Publisher's Announcement . . . . . . . . ix--ix
Tilman Dannert and
Frank Jenko Vlasov simulation of kinetic shear Alfvén
waves . . . . . . . . . . . . . . . . . 67--78
Heng Liang and
Fengshan Bai A partially structure-preserving
algorithm for the permanents of
adjacency matrices of fullerenes . . . . 79--84
Jonathan Tennyson and
Maxim A. Kostin and
Paolo Barletta and
Gregory J. Harris and
Oleg L. Polyansky and
Jayesh Ramanlal and
Nikolai F. Zobov DVR3D: a program suite for the
calculation of rotation-vibration
spectra of triatomic molecules . . . . . 85--116
Igor N. Kozin and
Mark M. Law and
Jonathan Tennyson and
Jeremy M. Hutson New vibration-rotation code for
tetraatomic molecules exhibiting
wide-amplitude motion: WAVR4 . . . . . . 117--131
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--vi
Valéry Weber and
Claude Daul and
Richard Baltensperger Radial numerical integrations based on
the sinc function . . . . . . . . . . . 133--142
L. Chacón A non-staggered, conservative, $ \nabla
\cdot \vec {B} = 0 $, finite-volume
scheme for $3$D implicit extended
magnetohydrodynamics in curvilinear
geometries . . . . . . . . . . . . . . . 143--171
M. J. Krawczyk and
K. Kulakowski High field electrophoresis-computer
simulations . . . . . . . . . . . . . . 172--176
G. Colonna and
A. D'Angola A hierarchical approach for fast and
accurate equilibrium calculation . . . . 177--190
Zhi-Bin Li and
Yin-Ping Liu RAEEM: a Maple package for finding a
series of exact traveling wave solutions
for nonlinear evolution equations . . . 191--201
Anonymous Contents to volume 163 . . . . . . . . . 203--204
Anonymous Author index to volume 163 . . . . . . . 205--206
Anonymous Program index to volume 163 . . . . . . 207--208
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--vi
Martin Greenwald Beyond benchmarking-how experiments and
simulations can work together in plasma
physics . . . . . . . . . . . . . . . . 1--8
Ralf Schneider and
Xavier Bonnin and
Neil McTaggart and
Alex Runov and
Matthias Borchardt and
Jörg Riemann and
Andreas Mutzke and
Konstantin Matyash and
Henry Leyh and
Manoj Warrier and
David Coster and
Wolfgang Eckstein and
Renate Dohmen Comprehensive suite of codes for
plasma-edge modelling . . . . . . . . . 9--16
Ritoku Horiuchi and
H. Ohtani and
A. Ishizawa Structure formation and dynamical
behavior of kinetic plasmas controlled
by magnetic reconnection . . . . . . . . 17--22
D. Grasso and
D. Borgogno and
F. Califano and
D. Farina and
F. Pegoraro and
F. Porcelli Numerical solution of a reduced model of
collisionless magnetic reconnection in
two and three dimensions . . . . . . . . 23--28
J. Egedal and
W. Fox and
E. Belonohy and
M. Porkolab Kinetic simulation of the VTF magnetic
reconnection experiment . . . . . . . . 29--33
S. E. Kruger and
C. R. Sovinec and
D. D. Schnack and
E. D. Held Free-boundary simulations of DIII-D
plasmas with the NIMROD code . . . . . . 34--39
H. R. Strauss and
A. Pletzer and
W. Park and
S. Jardin and
J. Breslau and
L. Sugiyama MHD simulations with resistive wall and
magnetic separatrix . . . . . . . . . . 40--45
A. A. Balakin and
G. M. Fraiman Numerical simulations of electron-ion
collisions in UHI plasmas . . . . . . . 46--52
O. V. Batishchev and
A. A. Batishcheva and
V. Yu. Bychenkov and
C. M. Albukrek and
A. V. Brantov and
W. Rozmus Molecular dynamics model for heating of
Coulomb clusters by laser field . . . . 53--59
F. Alouani-Bibi and
M. M. Shoucri and
J.-P. Matte Different Fokker--Planck approaches to
simulate electron transport in plasmas 60--66
A. V. Brantov and
V. Yu. Bychenkov and
O. V. Batishchev and
W. Rozmus Nonlocal heat wave propagation due to
skin layer plasma heating by short laser
pulses . . . . . . . . . . . . . . . . . 67--72
Shannon Cheng and
Mark Santi and
Murat Celik and
Manuel Martinez-Sanchez and
Jaime Peraire Hybrid PIC-DSMC simulation of a Hall
thruster plume on unstructured grids . . 73--79
Viktor K. Decyk and
Charles D. Norton UCLA Parallel PIC Framework . . . . . . 80--85
E. Hajiyev and
A. Demir A collisional-radiative model for
simulation of Ne-like and F-like
resonance lines emitted from laser
produced plasmas . . . . . . . . . . . . 86--90
Y. A. Kholodov and
A. S. Kholodov and
E. L. Stupitzki and
A. Y. Repin Numerical simulation of the convective
plasma dynamics stage at the ionosphere
motion by means of $3$D MHD equations 91--97
James C. Kniep and
Jean-Noel G. Leboeuf and
Viktor K. Decyk Gyrokinetic particle-in-cell
calculations of ion temperature gradient
driven turbulence with parallel
nonlinearity and strong flow corrections 98--102
V. B. Krasovitskii and
V. G. Dorofeenko and
V. I. Sotnikov and
B. S. Bauer Nonlinear processes during the
interaction of a petawatt laser pulse
with a plasma in the presence of an
external magnetic field . . . . . . . . 103--107
Anonymous The National Transport Code
Collaboration Module Library . . . . . . 108--113
J. L. V. Lewandowski Characterization of strange attractors
in drift wave microturbulence . . . . . 114--117
Peter Messmer and
David L. Bruhwiler A parallel electrostatic solver for the
VORPAL code . . . . . . . . . . . . . . 118--121
D. L. Newman and
M. V. Goldman and
R. E. Ergun and
L. Andersson and
N. Sen Reduced Vlasov simulations in higher
dimensions . . . . . . . . . . . . . . . 122--127
James A. Rossmanith A high-resolution constrained transport
method with adaptive mesh refinement for
ideal MHD . . . . . . . . . . . . . . . 128--133
Svetlana Shasharina and
Robert Eger and
John Cary Data grid for fusion simulations and
experiments . . . . . . . . . . . . . . 134--137
M. Shoucri and
H. Gerhauser and
K.-H. Finken Study of the generation of a charge
separation and electric field at a
plasma edge using Eulerian Vlasov codes
in cylindrical geometry . . . . . . . . 138--149
V. I. Sotnikov and
B. S. Bauer and
J. N. Leboeuf and
P. Hellinger and
P. Trávnícek and
V. Fiala Hybrid simulations of $Z$-pinches . . . 150--155
D. J. Strozzi and
M. M. Shoucri and
A. Bers Study of laser plasma interactions using
an Eulerian Vlasov code . . . . . . . . 156--159
Francesco Taccogna and
Savino Longo and
Mario Capitelli and
Ralf Schneider Stationary plasma thruster simulation 160--170
J.-L. Vay and
J.-C. Adam and
A. Héron Asymmetric PML for the absorption of
waves. Application to mesh refinement in
electromagnetic Particle-In-Cell plasma
simulations . . . . . . . . . . . . . . 171--177
W. X. Wang and
W. M. Tang and
F. L. Hinton and
L. E. Zakharov and
R. B. White and
J. Manickam Global $ \delta f $ particle simulation
of neoclassical transport and ambipolar
electric field in general geometry . . . 178--182
D. R. Welch and
D. V. Rose and
R. E. Clark and
T. C. Genoni and
T. P. Hughes Implementation of an non-iterative
implicit electromagnetic field solver
for dense plasma simulation . . . . . . 183--188
Plasma Theory and
Simulation Group (PTSG) and
Charles K. (Ned) Birdsall and
Edison T. Estacio Discoveries in plasmas while teaching
simulation . . . . . . . . . . . . . . . 189--194
Vladimir Kolobov and
Robert Arslanbekov Four dimensional Fokker--Planck solver
for electron kinetics in collisional gas
discharge plasmas . . . . . . . . . . . 195--201
Jorge Carretero and
Manuel Martínez-Sánchez Numerical simulation of a colloidal
thruster in the droplet regime . . . . . 202--208
Srinath Vadlamani and
Scott E. Parker and
Yang Chen and
Charlson Kim The particle-continuum method: an
algorithmic unification of
particle-in-cell and continuum methods 209--213
M. Gutnic and
M. Haefele and
I. Paun and
E. Sonnendrücker Vlasov simulations on an adaptive
phase-space grid . . . . . . . . . . . . 214--219
R. Samtaney and
S. C. Jardin and
P. Colella and
D. F. Martin $3$D adaptive mesh refinement
simulations of pellet injection in
tokamaks . . . . . . . . . . . . . . . . 220--228
Tomoaki Matsumoto and
Masahiro N. Machida and
Kohji Tomisaka and
Tomoyuki Hanawa Self-gravitational collapse of a
magnetized cloud core: high resolution
simulations with three-dimensional MHD
nested grid . . . . . . . . . . . . . . 229--236
A. H. Glasser and
X. Z. Tang The SEL macroscopic modeling code . . . 237--243
W. W. Lee Theoretical and numerical properties of
a gyrokinetic plasma: issues related to
transport time scale simulation . . . . 244--250
Andrew V. Ilin and
Franklin R. Chang Díaz and
Jared P. Squire and
Alfonso G. Tarditi and
Mark D. Carter Improved simulation of the ICRF waves in
the VASIMR plasma . . . . . . . . . . . 251--257
E. L. Stupitsky and
A. S. Kholodov and
A. Y. Repin and
Y. A. Kholodov Numerical modeling of behavior of
high-energy plasmoid in upper ionosphere 258--261
G. Manfredi and
F. Valsaque Vlasov simulations of plasma-wall
interactions in a weakly collisional
plasma . . . . . . . . . . . . . . . . . 262--268
T. Taguchi and
T. M. Antonsen, Jr. and
K. Mima Study of hot electron beam transport in
high density plasma using $3$D
hybrid-Darwin code . . . . . . . . . . . 269--278
J. Tonge and
D. E. Dauger and
V. K. Decyk Two-dimensional semiclassical
Particle-In-Cell code for simulation of
quantum plasmas . . . . . . . . . . . . 279--285
H. Lütjens Toroidal simulations of nonlinear
thresholds and saturations of classical
and neoclassical tearing instabilities 286--290
Ryusuke Numata and
Zensho Yoshida and
Takaya Hayashi Nonlinear three-dimensional simulation
for self-organization and flow
generation in two-fluid plasmas . . . . 291--296
J.-L. Vay and
P. Colella and
A. Friedman and
D. P. Grote and
P. McCorquodale and
D. B. Serafini Implementations of mesh refinement
schemes for Particle-In-Cell plasma
simulations . . . . . . . . . . . . . . 297--305
A. J. Christlieb and
R. Krasny and
J. P. Verboncoeur A treecode algorithm for simulating
electron dynamics in a Penning--Malmberg
trap . . . . . . . . . . . . . . . . . . 306--310
Kevin J. Bowers and
Barbara G. Devolder and
Lin Yin and
Thomas J. T. Kwan A maximum likelihood method for linking
particle-in-cell and Monte--Carlo
transport simulations . . . . . . . . . 311--317
N. McTaggart and
R. Zagórski and
X. Bonnin and
A. Runov and
R. Schneider Finite difference scheme for solving
general $3$D convection-diffusion
equation . . . . . . . . . . . . . . . . 318--329
J. C. Wright and
P. T. Bonoli and
E. D'Azevedo and
M. Brambilla Ultrahigh resolution simulations of mode
converted ion cyclotron waves and lower
hybrid waves . . . . . . . . . . . . . . 330--335
Adrian Wheelock and
David L. Cooke and
Nikolaos A. Gatsonis Investigation of ion beam neutralization
processes with $2$D and $3$D PIC
simulations . . . . . . . . . . . . . . 336--343
J. P. Verboncoeur Aliasing of electromagnetic fields in
stair step boundaries . . . . . . . . . 344--352
A. G. Korsun and
E. M. Tverdokhlebova and
F. F. Gabdullin Simulation of plasma plume-to-spacecraft
interaction . . . . . . . . . . . . . . 353--364
Ireneusz Szcze\'sniak and
John R. Cary dxhdf5: a software package for importing
HDF5 physics data into OpenDX . . . . . 365--369
Daniel W. Swift Use of a hybrid code for global-scale
simulation of the Earth's magnetosphere 370--376
F. Subba and
R. Zanino Modeling plasma-wall interactions in
First Wall-Limiter geometry . . . . . . 377--382
Anton Spirkin and
Nikolaos A. Gatsonis Unstructured $3$D PIC simulations of the
flow in a retarding potential analyzer 383--389
E. Sonnendrücker and
F. Filbet and
A. Friedman and
E. Oudet and
J.-L. Vay Vlasov simulations of beams with a
moving grid . . . . . . . . . . . . . . 390--395
M. Shoucri The application of a fractional steps
method for the numerical solution of the
shallow water equations . . . . . . . . 396--401
Svetlana Shasharina and
Robert Eger and
John Cary FarSight: application for remote
visualization . . . . . . . . . . . . . 402--407
Allen C. Robinson and
Christopher J. Garasi Three-dimensional $z$-pinch wire array
modeling with ALEGRA-HEDP . . . . . . . 408--413
Kyle Peterson Self consistent impedance determination
in multiple circuit paths for resistive
magnetohydrodynamic $z$-pinch flux
compression simulations . . . . . . . . 414--420
Alexei Pankin and
Glenn Bateman and
Robert Budny and
Arnold Kritz and
Douglas McCune and
Alexei Polevoi and
Irina Voitsekhovitch Numerical techniques used in Neutral
Beam Injection modules . . . . . . . . . 421--427
Kenichi Nanbu and
Lizhu Tong Solution method of the Poisson equation
for the electric field with a thin
sheath . . . . . . . . . . . . . . . . . 428--433
A. G. Korsun and
E. M. Tverdokhlebova and
F. F. Gabdullin Mathematical model of hypersonic plasma
flows expanding in vacuum . . . . . . . 434--441
Justin W. Koo and
Iain D. Boyd Computational model of a Hall thruster 442--447
Charlson C. Kim and
Carl R. Sovinec and
Scott E. Parker and
The NIMROD Team Hybrid kinetic-MHD simulations in
general geometry . . . . . . . . . . . . 448--455
S. Ethier and
Z. Lin Porting the $3$D gyrokinetic
particle-in-cell code GTC to the NEC
SX-6 vector architecture: perspectives
and challenges . . . . . . . . . . . . . 456--458
V. Yu. Bychenkov and
G. I. Dudnikova and
V. A. Vshivkov Computer simulation of particle
acceleration in thin foil by ultrashort
laser pulses . . . . . . . . . . . . . . 459--463
D. A. Dimitrov and
R. Busby and
J. Exby and
D. L. Bruhwiler and
J. R. Cary Secure Web-based invocation of
large-scale plasma simulation codes . . 464--467
J. Chen and
J. Breslau and
G. Fu and
S. Jardin and
W. Park Symmetric solution in M3D . . . . . . . 468--471
D. Subbarao and
Karuna Batra and
Manik Bali and
Sugata Mitra Computer simulation of cylindrical laser
beam self-focusing in a plasma . . . . . 472--476
D. Subbarao and
Manish Arora and
R. Uma and
M. V. R. Phanendra and
Krishna K. Singh Computer simulation of gyrophase
self-organisation in a magnetoplasma . . 477--481
Anonymous Author index to volume 164 . . . . . . . 483--491
Anonymous 2003 Best Graduate Student Presentation
Award winners . . . . . . . . . . . . . xxiii--xxiv
Anonymous Contents . . . . . . . . . . . . . . . . xxv--xxx
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--viii
Anonymous 2003 John Dawson Prize winners for
``pioneering advances to plasma physics
obtained through simulations'' . . . . . xiv--xv
Anonymous 2003 Oscar Buneman Award winners . . . . xxi--xxii
Anonymous Preface . . . . . . . . . . . . . . . . xi--xi
Anonymous Remarks by Bruce Langdon regarding the
Dawson Prize . . . . . . . . . . . . . . xix--xx
Anonymous Remarks by Charles K. (Ned) Birdsall
regarding the Dawson Prize . . . . . . . xvi--xviii
Anonymous In remembrance of John Dawson . . . . . xii--xiii
Adrian Doicu and
Franz Schreier and
Siegfried Hilgers and
Michael Hess Multi-parameter regularization method
for atmospheric remote sensing . . . . . 1--9
Igor N. Kozin and
Jonathan Tennyson and
Mark M. Law Effective computation of matrix elements
between polynomial basis functions . . . 10--14
Thomas Schanze Approximation of the Crank--Nicolson
method by the iterated dynamic-theta
method . . . . . . . . . . . . . . . . . 15--17
Brett I. Dunlap Angular momentum in molecular quantum
mechanical integral evaluation . . . . . 18--36
D. R. Mason and
T. S. Hudson and
A. P. Sutton Fast recall of state-history in kinetic
Monte Carlo simulations utilizing the
Zobrist key . . . . . . . . . . . . . . 37--48
Michele Della Morte and
Roland Hoffmann and
Francesco Knechtli and
Ulli Wolff and
ALPHA Collaboration Impact of large cutoff-effects on
algorithms for improved Wilson fermions 49--58
Ján Busa and
Jozef Dzurina and
Edik Hayryan and
Shura Hayryan and
Chin-Kun Hu and
Ján Plávka and
Imrich Pokorný and
Jaroslav Skrivánek and
Ming-Chya Wu ARVO: a Fortran package for computing
the solvent accessible surface area and
the excluded volume of overlapping
spheres via analytic equations . . . . . 59--96
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--viii
Jens Harting and
Matthew J. Harvey and
Jonathan Chin and
Peter V. Coveney Detection and tracking of defects in the
gyroid mesophase . . . . . . . . . . . . 97--109
Yongming Dai and
Zhongcheng Wang and
Deying Zhao and
Xiaolong Song A new high efficient and high accurate
Obrechkoff four-step method for the
periodic nonlinear undamped Duffing's
equation . . . . . . . . . . . . . . . . 110--126
M. Morhác and
V. Matousek Multidimensional nuclear spectra
compression using fast adaptive
Fourier-based transforms . . . . . . . . 127--138
Andrey Surzhykov and
Peter Koval and
Stephan Fritzsche Algebraic tools for dealing with the
atomic shell model. I. Wavefunctions and
integrals for hydrogen-like ions . . . . 139--156
Francesc Salvat and
Aleksander Jablonski and
Cedric J. Powell \tt elsepa --- Dirac partial-wave
calculation of elastic scattering of
electrons and positrons by atoms,
positive ions and molecules . . . . . . 157--190
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--vi
W. Bazhan and
K. Kolwas Near-field flat-plane images of
spherical nanoparticles . . . . . . . . 191--198
Martin Lüscher Schwarz-preconditioned HMC algorithm for
two-flavor lattice QCD . . . . . . . . . 199--220
N. Cundy and
J. van den Eshof and
A. Frommer and
S. Krieg and
Th. Lippert and
K. Schäfer Numerical methods for the QCD overlap
operator: III. Nested iterations . . . . 221--242
Karl-Heinz Zimmermann Solving constrained combinatorial
optimization problems via importance
sampling in the grand canonical ensemble 243--259
Sverker Edvardsson and
Daniel Åberg and
Per Uddholm A program for accurate solutions of
two-electron atoms . . . . . . . . . . . 260--270
Anonymous Contents to volume 165 . . . . . . . . . 271--272
Anonymous Author index to volume 165 . . . . . . . 273--274
Anonymous Program index to volume 165 . . . . . . 275--275
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--vi
Semra Gündüç and
Mehmet Dilaver and
Meral Aydin and
Yigit Gündüç A study of dynamic finite size scaling
behavior of the scaling
functions-calculation of dynamic
critical index of Wolff algorithm . . . 1--7
Reinhard Schiemann and
Michael Bachmann and
Wolfhard Janke Exact enumeration of three-dimensional
lattice proteins . . . . . . . . . . . . 8--16
A. Costa and
U. Becciani and
P. Miocchi and
V. Antonuccio and
R. Capuzzo Dolcetta and
P. Di Matteo and
V. Rosato Astrocomp: Web technologies for high
performance computing on a network of
supercomputers . . . . . . . . . . . . . 17--25
Meenakshi Dutt and
Bruno Hancock and
Craig Bentham and
James Elliott An implementation of granular dynamics
for simulating frictional elastic
particles based on the DL\_POLY code . . 26--44
Sh. J. Huang and
F. Li Finite-difference time-domain simulation
of electromagnetic propagation in
magnetized plasma . . . . . . . . . . . 45--52
C. Angeli and
R. Cimiraglia Computer assisted generation of the
matrix elements between contracted
wavefunctions in a Complete Active Space
scheme . . . . . . . . . . . . . . . . . 53--57
Shigeyoshi Yamamoto and
Umpei Nagashima Four-index integral transformation
exploiting symmetry . . . . . . . . . . 58--65
Yu. A. Ukolov and
N. A. Chekanov and
A. A. Gusev and
V. A. Rostovtsev and
S. I. Vinitsky and
Y. Uwano A REDUCE program for the normalization
of polynomial Hamiltonians . . . . . . . 66--80
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--viii
E. Pohn and
M. Shoucri and
G. Kamelander Eulerian Vlasov codes . . . . . . . . . 81--93
Dmitry M. Medvedev and
Evelyn M. Goldfield and
Stephen K. Gray An OpenMP/MPI approach to the
parallelization of iterative four-atom
quantum mechanics . . . . . . . . . . . 94--108
Hans Van de Vyver Comparison of some special optimized
fourth-order Runge--Kutta methods for
the numerical solution of the Schrödinger
equation . . . . . . . . . . . . . . . . 109--122
Andrzej Daniluk Dynamical calculations for RHEED
intensity oscillations . . . . . . . . . 123--140
G. Gaigalas and
O. Scharf and
S. Fritzsche Maple procedures for the coupling of
angular momenta. VIII. Spin-angular
coefficients for single-shell
configurations . . . . . . . . . . . . . 141--169
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--vi
Guido R. Mocken and
Christoph H. Keitel Radiation spectra of laser-driven
quantum relativistic electrons . . . . . 171--190
D. Hoang-Binh A program to compute exact hydrogenic
radial integrals, oscillator strengths,
and Einstein coefficients, for principal
quantum numbers up to $ n \approx 1000 $ 191--196
R. Sainidou and
N. Stefanou and
I. E. Psarobas and
A. Modinos A layer-multiple-scattering method for
phononic crystals and heterostructures
of such . . . . . . . . . . . . . . . . 197--240
Anonymous Contents to volume 166 . . . . . . . . . 241--242
Anonymous Author index to volume 166 . . . . . . . 243--244
Anonymous Program index to volume 166 . . . . . . 245--246
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--vi
Zhongcheng Wang A new effective algorithm for the
resonant state of a Schrödinger equation 1--6
Emmanuel Lorin de la Grandmaison and
Shivaraju B. Gowda and
Yousef Saad and
Murilo L. Tiago and
James R. Chelikowsky Efficient computation of the coupling
matrix in time-dependent density
functional theory . . . . . . . . . . . 7--22
Ioannis Kioutsioukis and
Dimitrios Melas and
Christos Zerefos and
Ioannis Ziomas Efficient sensitivity computations in
$3$D air quality models . . . . . . . . 23--33
A. C. Vaiana and
Z. Cournia and
I. B. Costescu and
J. C. Smith AFMM: a molecular mechanics force field
vibrational parametrization program . . 34--42
M. V. Stoitsov and
J. Dobaczewski and
W. Nazarewicz and
P. Ring Axially deformed solution of the
Skyrme--Hartree--Fock--Bogolyubov
equations using the transformed harmonic
oscillator basis. The program HFBTHO
(v1.66p) . . . . . . . . . . . . . . . . 43--63
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--viii
Deyin Zhao and
Zhongcheng Wang and
Yongming Dai Importance of the first-order derivative
formula in the Obrechkoff method . . . . 65--75
Miguel Alcubierre and
José A. González Regularization of spherically symmetric
evolution codes in numerical relativity 76--84
Dimitris Zaharioudakis Quadratic and cubic tetrahedron methods
for Brillouin zone integration . . . . . 85--89
Yunkai Zhou and
Ron Shepard and
Michael Minkoff Computing eigenvalue bounds for
iterative subspace matrix methods . . . 90--102
Joost VandeVondele and
Matthias Krack and
Fawzi Mohamed and
Michele Parrinello and
Thomas Chassaing and
Jürg Hutter Quickstep: Fast and accurate density
functional calculations using a mixed
Gaussian and plane waves approach . . . 103--128
Hans Van de Vyver A Runge--Kutta--Nyström pair for the
numerical integration of perturbed
oscillators . . . . . . . . . . . . . . 129--142
H. Fukuda and
M. Katuya and
E. O. Alt and
A. V. Matveenko Gaussian quadrature rule for arbitrary
weight function and interval . . . . . . 143--150
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--vi
Fuyuki Shimojo and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta Embedded divide-and-conquer algorithm on
hierarchical real-space grids: parallel
molecular dynamics simulation based on
linear-scaling density functional theory 151--164
Kyle Cranmer and
R. Sean Bowman PhysicsGP: a Genetic Programming
approach to event selection . . . . . . 165--176
Jens Vollinga and
Stefan Weinzierl Numerical evaluation of multiple
polylogarithms . . . . . . . . . . . . . 177--194
P. Huber and
M. Lindner and
W. Winter Simulation of long-baseline neutrino
oscillation experiments with GLoBES:
(General Long Baseline Experiment
Simulator) . . . . . . . . . . . . . . . 195--202
B. Karasözen and
V. G. Tsybulin Mimetic discretization of
two-dimensional Darcy convection . . . . 203--213
J. Dobaczewski and
P. Olbratowski Solution of the
Skyrme--Hartree--Fock--Bogolyubov
equations in the Cartesian deformed
harmonic-oscillator basis. (V) HFODD
(v2.08k) . . . . . . . . . . . . . . . . 214--216
M. Boonekamp and
T. Kúcs DPEMC: a Monte Carlo for double
diffraction . . . . . . . . . . . . . . 217--228
G. Torrieri and
S. Steinke and
W. Broniowski and
W. Florkowski and
J. Letessier and
J. Rafelski SHARE: Statistical hadronization with
resonances . . . . . . . . . . . . . . . 229--251
Anonymous Contents to volume 167 . . . . . . . . . 253--254
Anonymous Author index to volume 167 . . . . . . . 255--257
Anonymous Program index to volume 167 . . . . . . 258--258
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--vi
A. Hujeirat A problem-orientable numerical algorithm
for modeling multi-dimensional radiative
MHD flows in astrophysics-the
hierarchical solution scenario . . . . . 1--24
Zack Sullivan Fast evaluation of CTEQ parton
distributions in Monte Carlos . . . . . 25--31
G. Alvarez and
C. Sen and
N. Furukawa and
Y. Motome and
E. Dagotto The truncated polynomial expansion Monte
Carlo method for fermion systems coupled
to classical fields: a model independent
implementation . . . . . . . . . . . . . 32--45
M. Mühlleitner and
A. Djouadi and
Y. Mambrini SDECAY: a Fortran code for the decays of
the supersymmetric particles in the MSSM 46--70
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--viii
N. Mohankumar and
T. Kannan and
S. Kanmani On the evaluation of Fermi--Dirac
integral and its derivatives by IMT and
DE quadrature methods . . . . . . . . . 71--77
T. Hahn \sc Cuba --- a library for
multidimensional numerical integration 78--95
K. Bennaceur and
J. Dobaczewski Coordinate-space solution of the
Skyrme--Hartree--Fock--Bogolyubov
equations within spherical symmetry. The
program HFBRAD (v1.00) . . . . . . . . . 96--122
Christian W. Straka ADF95: Tool for automatic
differentiation of a FORTRAN code
designed for large numbers of
independent variables . . . . . . . . . 123--139
S. Weber and
P.-H. Maire and
R. Loub\`ere and
G. Riazuelo and
P. Michel and
V. Tikhonchuk and
J. Ovadia A transport simulation code for inertial
confinement fusion relevant laser-plasma
interaction . . . . . . . . . . . . . . 141--158
Hwee Kuan Lee and
Yutaka Okabe and
X. Cheng and
M. B. A. Jalil Solving the master equation for
extremely long time scale calculations 159--164
Steffen Seeger and
Karl Heinz Hoffmann On symbolic derivation of the cumulant
equations . . . . . . . . . . . . . . . 165--176
Teresa K. C. Woo and
Vincent K. W. Cheng and
Christopher D. Beling and
Michael K. P. Ng An evaluation of algorithms for the
deconvolution of Doppler broadening
positron annihilation radiation
spectroscopy spectra . . . . . . . . . . 177--186
M. Shamsi and
M. Razzaghi Solution of Hallen's integral equation
using multiwavelets . . . . . . . . . . 187--197
M. Bakhos and
A. P. Vincent and
D. A. Yuen An out-of-core high-resolution FFT
algorithm for determining large-scale
imperfections of surface potentials in
crystals . . . . . . . . . . . . . . . . 198--208
Martin Kröger Shortest multiple disconnected path for
the analysis of entanglements in two-
and three-dimensional polymeric systems 209--232
Anonymous Contents to Volume 168 . . . . . . . . . 233--234
Anonymous Author Index to Volume 168 . . . . . . . 235--236
Anonymous Program Index to Volume 168 . . . . . . 237--237
J. B. Neaton and
K. H. Khoo and
C. D. Spataru and
Steven G. Louie Electron transport and optical
properties of carbon nanostructures from
first principles . . . . . . . . . . . . 1--8
Rosa Di Felice and
Stefano Corni Computational approach to study
electron-transfer proteins: Azurin for
bio-molecular devices . . . . . . . . . 9--13
Jean-Yves Raty and
Giulia Galli First principle study of nanodiamond
optical and electronic properties . . . 14--19
Xiaobao Yang and
Jun Ni Ground states of potassium adsorbate on
single-walled carbon nanotubes . . . . . 20--23
Caetano R. Miranda and
Sandro Scandolo Computational materials science meets
geophysics: dislocations and slip planes
of MgO . . . . . . . . . . . . . . . . . 24--27
A. Qteish and
A. I. Al-Sharif and
M. Fuchs and
M. Scheffler and
S. Boeck and
J. Neugebauer Exact-exchange calculations of the
electronic structure of AlN, GaN and InN 28--31
C. Sbraccia and
C. A. Pignedoli and
A. Catellani and
R. Di Felice and
P. L. Silvestrelli and
F. Toigo and
F. Ancilotto and
C. M. Bertoni Acetylene on Si(111) from computer
simulations . . . . . . . . . . . . . . 32--35
Christoph Dellago and
Mor M. Naor Dipole moment of water molecules in
narrow pores . . . . . . . . . . . . . . 36--39
Alessandro Mattoni and
Luciano Colombo and
Fabrizio Cleri Crack-tip stress shielding by a hard
fiber in $ \beta $-SiC: an atomistic
study . . . . . . . . . . . . . . . . . 40--43
Fabrizio Cleri Evolution of dislocation cell structures
in plastically deformed metals . . . . . 44--49
M. C. Righi and
C. A. Pignedoli and
R. Di Felice and
C. M. Bertoni and
A. Catellani Kinetic Monte Carlo simulations of C
diffusion on $ \sqrt {3} \times \sqrt
{3} $ $ \beta $-SiC(111) based on \em ab
initio calculations . . . . . . . . . . 50--53
Erik Johansson and
Kim Bolton and
Peter Ahlström Simulation of water vapor clusters in
equilibrium with liquid water . . . . . 54--56
Michael Schreiber and
Sibylle Gemming Density-functional investigation of
alloyed metallic nanowires . . . . . . . 57--59
Ilya Valuev Reactive potentials for molecular
dynamics with cluster multi-range
interpolation . . . . . . . . . . . . . 60--63
Ronald Blaak and
Hartmut Löwen Umbrella sampling in non-equilibrium
computer simulations . . . . . . . . . . 64--68
Nicolas Levy and
Daniel Borgis and
Massimo Marchi A dielectric continuum model of
solvation for complex solutes . . . . . 69--74
Kurt Kremer and
Sathish K. Sukumaran and
Ralf Everaers and
Gary S. Grest Entangled polymer systems . . . . . . . 75--81
Doros N. Theodorou Hierarchical modeling of amorphous
polymers . . . . . . . . . . . . . . . . 82--88
Jean-Paul Ryckaert From local jumps to entangled chain
dynamics in polyethylene melts . . . . . 89--94
Irene Burghardt and
Lorenz S. Cederbaum and
James T. Hynes Ultrafast excited-state charge transfer
at a conical intersection: effects of an
environment . . . . . . . . . . . . . . 95--98
Claire Loison and
Michel Mareschal and
Friederike Schmid Fluctuations and defects in lamellar
stacks of amphiphilic bilayers . . . . . 99--103
Kang Kim and
Yasuya Nakayama and
Ryoichi Yamamoto A smoothed profile method for simulating
charged colloidal dispersions . . . . . 104--106
Andrey Milchev and
Kurt Binder Adsorption-induced polymer translocation
through a nanopore: a Monte Carlo
investigation . . . . . . . . . . . . . 107--110
Michael Bachmann and
Wolfhard Janke Conformational transitions of
heteropolymers . . . . . . . . . . . . . 111--113
Hsiao-Ping Hsu and
Walder Nadler and
Peter Grassberger Statistics of lattice animals . . . . . 114--116
Tanja Schilling and
Daan Frenkel Nucleation in suspensions of anisotropic
colloids . . . . . . . . . . . . . . . . 117--121
Enzo Orlandini and
Davide Marenduzzo and
Julia M. Yeomans Shear dynamics in cholesterics . . . . . 122--125
Ana Damjanovi\'c and
Bertrand García-Moreno E. and
Eaton E. Lattman and
Angel E. García Molecular dynamics study of hydration of
the protein interior . . . . . . . . . . 126--129
Manuela Cavallari and
Alessandro Desideri and
Mattia Falconi and
Mauro Ferrario Molecular dynamics simulations of the
Trp repressor-DNA complex and the AV77
mutant . . . . . . . . . . . . . . . . . 130--134
Carlo Cavazzoni and
Renato Colle and
Riccardo Farchioni and
Giuseppe Grosso Base and salt $3$D forms of Emeraldine
II polymers by Car--Parrinello molecular
dynamics . . . . . . . . . . . . . . . . 135--138
Hiroaki Nakamura and
Yuichi Tamura Phase diagram for self-assembly of
amphiphilic molecule C$_{12}$E$_6$ by
dissipative particle dynamics simulation 139--143
Peter Young Recent numerical results on spin glasses 144--148
D. P. Landau and
F. Tavazza and
J. Adler Monte Carlo simulations of a
compressible Ising ferromagnet at
constant volume . . . . . . . . . . . . 149--152
S. Atzeni and
A. Schiavi and
F. Califano and
F. Cattani and
F. Cornolti and
D. Del Sarto and
T. V. Liseykina and
A. Macchi and
F. Pegoraro Fluid and kinetic simulation of inertial
confinement fusion plasmas . . . . . . . 153--159
A. C. Maggs and
J. Rottler Auxiliary field simulation and Coulomb's
law . . . . . . . . . . . . . . . . . . 160--165
Francesco Sciortino and
Sergey V. Buldyrev and
Cristiano De Michele and
Giuseppe Foffi and
Neda Ghofraniha and
Emilia La Nave and
Angel Moreno and
Stefano Mossa and
Ivan Saika-Voivod and
Piero Tartaglia and
Emanuela Zaccarelli Routes to colloidal gel formation . . . 166--171
Cedric Thieulot and
Pep Español Non-isothermal diffusion in a binary
mixture with smoothed particle
hydrodynamics . . . . . . . . . . . . . 172--176
Jörg Rottler and
Mark O. Robbins Macroscopic friction laws and shear
yielding of glassy solids . . . . . . . 177--182
Eytan Domany Analysis of DNA-chip and antigen-chip
data: studies of cancer, stem cells and
autoimmune diseases . . . . . . . . . . 183--187
Alberto Rosso and
Werner Krauth Variant Monte Carlo algorithm for driven
elastic strings in random media . . . . 188--191
Ignacio Pagonabarraga and
Fabrizio Capuani and
Daan Frenkel Mesoscopic lattice modeling of
electrokinetic phenomena . . . . . . . . 192--196
K. Franzrahe and
P. Henseler and
A. Ricci and
W. Strepp and
S. Sengupta and
M. Dreher and
Chr. Kircher and
M. Lohrer and
W. Quester and
K. Binder and
P. Nielaba Two-dimensional model colloids and nano
wires: phase transitions, effects of
external potentials and quantum effects 197--202
Simone Melchionna and
Sauro Succi Lattice Boltzmann--Poisson method for
electrorheological nanoflows in ion
channels . . . . . . . . . . . . . . . . 203--206
Chiara Marchetto and
Francesco Califano and
Maurizio Lontano Turbulence healing via plasma-wave
interaction: the results of a study via
kinetic codes . . . . . . . . . . . . . 207--209
Giuliano De Stefano and
Oleg V. Vasilyev and
Daniel E. Goldstein A-priori dynamic test for
deterministic/stochastic modeling in
large-eddy simulation of turbulent flow 210--213
Paola Gallo and
Andrea Attili and
Mauro Rovere Glass transition in confinement: a
Lennard-Jones binary mixture study . . . 214--217
Ta-Yuan Chen and
Li-Ching Hsieh and
Hoong-Chien Lee Shannon information and self-similarity
in whole genomes . . . . . . . . . . . . 218--221
Wolfhard Janke and
Adriaan M. J. Schakel Geometrical phase transitions . . . . . 222--225
Kurt Binder and
M. Müller and
A. Milchev and
D. P. Landau Monte Carlo simulations of Ising models
and polymer blends in double wedge
geometry: Evidence for novel types of
critical phenomena . . . . . . . . . . . 226--229
Rudolf Hilfer and
Bibudhananda Biswal and
Hans-Georg Mattutis and
Wolfhard Janke Multicanonical simulations of the tails
of the order-parameter distribution of
the two-dimensional Ising model . . . . 230--233
Alexander K. Hartmann and
Wolfgang Barthel and
Martin Weigt Phase transition and finite-size scaling
in the vertex-cover problem . . . . . . 234--237
Dan Skandera Different strategies of the central
approach to the numerical hydrodynamics 238--242
S. Reynal and
H. T. Diep Hybrid multicanonical cluster algorithm
for efficient simulations of long-range
spin models . . . . . . . . . . . . . . 243--246
Vladimir Stegailov Homogeneous and heterogeneous mechanisms
of superheated solid melting and decay 247--250
J. Loverich and
U. Shumlak A discontinuous Galerkin method for the
full two-fluid plasma model . . . . . . 251--255
Jochen Blumberger and
Yoshitaka Tateyama and
Michiel Sprik Ab initio molecular dynamics simulation
of redox reactions in solution . . . . . 256--261
Gaurav Arya and
Athanassios Z. Panagiotopoulos Molecular modeling of shear-induced
alignment of cylindrical micelles . . . 262--266
Sara Bonella and
David Coker Linearized, time-dependent,
non-adiabatic quantum correlation
functions . . . . . . . . . . . . . . . 267--273
Robert H. Swendsen and
Marc Fasnacht and
John M. Rosenberg The adaptive integration method for
calculating general free energy
functions . . . . . . . . . . . . . . . 274--276
Ron Elber Computer simulations of protein folding:
Classical trajectories by optimization
of action . . . . . . . . . . . . . . . 277--283
Thomas Bligaard and
Hannes Jónsson Optimization of hyperplanar transition
states: Application to $2$D test
problems . . . . . . . . . . . . . . . . 284--288
Matthew J. McGrath and
J. Ilja Siepmann and
I-Feng W. Kuo and
Christopher J. Mundy and
Joost VandeVondele and
Michiel Sprik and
Jürg Hutter and
Fawzi Mohamed and
Matthias Krack and
Michele Parrinello Toward a Monte Carlo program for
simulating vapor-liquid phase equilibria
from first principles . . . . . . . . . 289--294
Young C. Kim and
Michael E. Fisher Fluid coexistence close to criticality:
scaling algorithms for precise
simulation . . . . . . . . . . . . . . . 295--300
Ryoichi Yamamoto and
Yasuya Nakayama and
Kang Kim A method to resolve hydrodynamic
interactions in colloidal dispersions 301--304
Daniele Passerone and
Teodoro Laino Exploring conical intersection spaces
using pseudo-dynamics and band
optimization: a novel strategy . . . . . 305--308
Yiming Li and
Shao-Ming Yu A numerical iterative method for solving
Schrödinger and Poisson equations in
nanoscale single, double and surrounding
gate metal-oxide-semiconductor
structures . . . . . . . . . . . . . . . 309--312
Mitsuyoshi Tomiya and
Naotaka Yoshinaga and
Shoichi Sakamoto and
Aki Hirai A large number of higher-energy
eigenvalues of a huge dimensional matrix
for a quantum chaotic study of a quartic
potential . . . . . . . . . . . . . . . 313--316
Hisashi Okumura and
Yuko Okamoto Molecular simulations in the
multibaric-multithermal ensembles . . . 317--321
D. Quigley and
M. I. J. Probert Constant pressure Langevin dynamics:
theory and application . . . . . . . . . 322--325
R. G. Winkler and
M. Ripoll and
K. Mussawisade and
G. Gompper Simulation of complex fluids by
multi-particle-collision dynamics . . . 326--330
Marco Masia and
Michael Probst and
Rossend Rey On the performance of molecular
polarization methods close to a point
charge . . . . . . . . . . . . . . . . . 331--334
David Curcó and
Jordi Casanovas and
Marc Roca and
Carlos Alemán A method for generating reliable
atomistic models of amorphous polymers
based on a random search of energy
minima . . . . . . . . . . . . . . . . . 335--338
Branislav Brutovsky and
Gerald R. Kneller Linear prediction of force time series
to accelerate molecular dynamics
simulations . . . . . . . . . . . . . . 339--342
Godehard Sutmann and
Bernhard Steffen A particle--particle particle--multigrid
method for long-range interactions in
molecular simulations . . . . . . . . . 343--346
Zoltán Fodor Lattice gauge theory and elementary
particle physics . . . . . . . . . . . . 347--352
Ewald Müller Simulating astrophysical phenomena:
challenges and achievements . . . . . . 353--361
Karl Jansen Going chiral: twisted mass versus
overlap fermions . . . . . . . . . . . . 362--364
Roberto Capuzzo-Dolcetta High performance computing for
self-gravitating systems . . . . . . . . 365--369
Fabien Alet and
Biagio Lucini and
Michele Vettorazzo A cluster algorithm for lattice gauge
theories . . . . . . . . . . . . . . . . 370--373
Ian Hawke and
Luca Baiotti and
Luciano Rezzolla and
Erik Schnetter Gravitational waves from the $3$D
collapse of a neutron star to a Kerr
black hole . . . . . . . . . . . . . . . 374--377
Claudio Gheller and
Gianfranco Brunetti Merging clusters and the formation of
radio haloes . . . . . . . . . . . . . . 378--381
N. Attig and
G. S. Bali and
Th. Düssel and
Th. Lippert and
H. Neff and
Z. Prkaçin and
K. Schilling Demonstration of string breaking in
quantum chromodynamics by large-scale
eigenvalue computations . . . . . . . . 382--385
Michele Casula and
Seiji Yunoki and
Claudio Attaccalite and
Sandro Sorella Resonating valence bond wave function:
from lattice models to realistic systems 386--393
Shiwei Zhang and
Henry Krakauer and
Wissam A. Al-Saidi and
Malliga Suewattana Quantum simulations of realistic systems
by auxiliary fields . . . . . . . . . . 394--399
Alessandro Sergi and
Raymond Kapral Nonadiabatic chemical reactions . . . . 400--403
Saverio Moroni and
Stefano Baroni Computational spectroscopy of doped He
clusters . . . . . . . . . . . . . . . . 404--407
Takahiro Mizusaki and
Masatoshi Imada Path-integral renormalization group
method with quantum-number projection 408--411
P. D. Drummond and
J. F. Corney Quantum phase-space simulations of
fermions and bosons . . . . . . . . . . 412--415
Marcos Rigol and
Alejandro Muramatsu Exact numerical approach to hard-core
bosons on one-dimensional lattices . . . 416--420
Markus Holzmann and
Carlo Pierleoni and
David M. Ceperley Coupled electron-ion Monte Carlo
calculations of atomic hydrogen . . . . 421--425
Florian R. Krajewski and
Martin H. Müser Many-body quantum dynamics by adiabatic
path-integral molecular dynamics:
Disordered Frenkel Kontorova models . . 426--429
Massimo Rontani and
Carlo Cavazzoni and
Guido Goldoni The crossover between liquid and solid
electron phases in quantum dots: a
large-scale configuration-interaction
study . . . . . . . . . . . . . . . . . 430--432
Michael P. Allen Computer simulation of multiscale
phenomena in colloidal liquid crystals 433--437
A. Brandt Multiscale solvers and systematic
upscaling in computational physics . . . 438--441
Raffaele Tripiccione Strategies for dedicated computing for
lattice gauge theories . . . . . . . . . 442--448
A. Canning and
D. Raczkowski Scaling first-principles plane-wave
codes to thousands of processors . . . . 449--453
Carlo Cavazzoni and
Tomaso Esposti Ongaro and
Giovanni Erbacci and
Augusto Neri and
Giovanni Macedonio High performance computing simulations
of pyroclastic flows . . . . . . . . . . 454--456
Wolfhard Janke and
Des Johnston and
Ralph Kenna Critical exponents from general
distributions of zeroes . . . . . . . . 457--461
Simone Meloni and
Mario Rosati and
Alessandro Federico and
Luca Ferraro and
Alessandro Mattoni and
Luciano Colombo Computational Materials Science
application programming interface
(CMSapi): a tool for developing
applications for atomistic simulations 462--466
Anonymous Author index to volume 169 . . . . . . . 467--475
Anonymous Contents . . . . . . . . . . . . . . . . xv--xxi
Anonymous CCP 2004 Committees . . . . . . . . . . xiii--xiv
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--viii
Mauro Ferrario and
Simone Melchionna and
Carlo Pierleoni Preface . . . . . . . . . . . . . . . . xi--xii
James E. Raynolds and
Lenore R. Mullin Applications of Conformal Computing
techniques to problems in computational
physics: the Fast Fourier Transform . . 1--10
U. Becciani and
A. F. Lanza and
A. Costa and
M. Rodon\`o A parallel code for the analysis of
light curves of close binary stars with
surface inhomogeneities through the
Astrocomp-grid portal . . . . . . . . . 11--30
D. R. Mason Faster neighbour list generation using a
novel lattice vector representation . . 31--41
Oliver Brein Adaptive scanning --- a proposal how to
scan theoretical predictions over a
multi-dimensional parameter space
efficiently . . . . . . . . . . . . . . 42--48
Zhongcheng Wang and
Qimang Chen A trigonometrically-fitted one-step
method with multi-derivative for the
numerical solution to the
one-dimensional Schrödinger equation . . 49--64
A. Vogt Efficient evolution of unpolarized and
polarized parton distributions with QCD-
Pegasus . . . . . . . . . . . . . . . . 65--92
Gleb Beliakov Class library \tt ranlip for
multivariate nonuniform random variate
generation . . . . . . . . . . . . . . . 93--108
Ron Shepard and
Michael Minkoff and
Yunkai Zhou Software for computing eigenvalue bounds
for iterative subspace matrix methods 109--114
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--viii
Rafal Ablamowicz and
Bertfried Fauser Clifford and Graßmann Hopf algebras via
the BIGEBRA package for Maple . . . . . 115--130
M. J. Krawczyk and
K. Kulakowski Off-lattice simulation of the solid
phase DNA amplification . . . . . . . . 131--136
Carl McBride and
Carlos Vega and
Eduardo Sanz Non-Markovian melting: a novel procedure
to generate initial liquid like phases
for small molecules for use in computer
simulation studies . . . . . . . . . . . 137--143
J. L. Movilla and
J. Planelles Image charges in spherical quantum dots
with an off-centered impurity: algorithm
and numerical results . . . . . . . . . 144--152
U. Ziegler A solution-adaptive central-constraint
transport scheme for
magnetohydrodynamics . . . . . . . . . . 153--174
Jong-Shinn Wu and
Yu-Lin Hsu and
Yun-Min Lee Parallel implementation of molecular
dynamics simulation for short-ranged
interaction . . . . . . . . . . . . . . 175--185
J. Zhou and
A. Deyhim and
S. Krueger and
S. K. Gregurick LORES: Low resolution shape program for
the calculation of small angle
scattering profiles for biological
macromolecules in solution . . . . . . . 186--204
Bengt Eliasson The parallel implementation of the
one-dimensional Fourier transformed
Vlasov--Poisson system . . . . . . . . . 205--230
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--vi
J. I. Ramos On the numerical treatment of an
ordinary differential equation arising
in one-dimensional non-Fickian diffusion
problems . . . . . . . . . . . . . . . . 231--238
Russell M. Pitzer Atomic self-consistent-field program by
the basis set expansion method: Columbus
version . . . . . . . . . . . . . . . . 239--264
Andrzej Daniluk Kinematical calculations of RHEED
intensity oscillations during the growth
of thin epitaxial films . . . . . . . . 265--286
V. A. Poghosyan Package for calculations and
simplifications of expressions with
Dirac matrices (MatrixExp) . . . . . . . 287--295
I. J. Thompson and
F. M. Nunes and
B. V. Danilin Erratum to ``FaCE: a tool for three body
Faddeev calculations with core
excitation'' [Comput. Phys. Commun. \bf
161 (2004) 87--107] . . . . . . . . . . 296--297
Anonymous Contents to Volume 170 . . . . . . . . . 299--300
Anonymous Author Index to Volume 170 . . . . . . . 301--302
Anonymous Program Index to Volume 170 . . . . . . 303--304
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--vi
M. Willatzen and
L. C. Lew Yan Voon Numerical implementation of the
ellipsoidal wave equation and
application to ellipsoidal quantum dots 1--18
K. De Raedt and
H. De Raedt and
K. Michielsen Deterministic event-based simulation of
quantum phenomena . . . . . . . . . . . 19--39
M. G. Bustamante and
J. E. Miraglia and
F. D. Colavecchia Computation of a generalized Nordsieck
integral . . . . . . . . . . . . . . . . 40--48
P. Bonche and
H. Flocard and
P. H. Heenen Solution of the Skyrme HF~+~BCS equation
on a $3$D mesh . . . . . . . . . . . . . 49--62
C. Angeli and
R. Cimiraglia FRODO: a MuPAD program to calculate
matrix elements between contracted
wavefunctions . . . . . . . . . . . . . 63--68
Johannes U. Martin and
Gary N. Felder and
Andrei V. Frolov and
Lev Kofman and
Marco Peloso BRANECODE: a program for simulations of
braneworld dynamics . . . . . . . . . . 69--78
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--viii
Zhongcheng Wang and
Yuan Wang A new kind of high-efficient and
high-accurate P-stable Obrechkoff
three-step method for periodic
initial-value problems . . . . . . . . . 79--92
B. Abdul Ghani TEA CO$_2$ Laser Simulator: a software
tool to predict the output pulse
characteristics of TEA CO$_2$ laser . . 93--106
M. A. Caprio LevelScheme: a level scheme drawing and
scientific figure preparation system for
Mathematica . . . . . . . . . . . . . . 107--118
K. Rykhlinskaya and
S. Fritzsche Generation of molecular symmetry
orbitals for the point and double groups 119--132
Bjòrn K. Alsberg and
Håvard Bjerke and
Gunn M. Navestad and
Per-Olof Åstrand GaussDal: An open source database
management system for quantum chemical
computations . . . . . . . . . . . . . . 133--153
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--vi
Jens A. Melheim Cluster integration method in Lagrangian
particle dynamics . . . . . . . . . . . 155--161
Zhongcheng Wang P-stable linear symmetric multistep
methods for periodic initial-value
problems . . . . . . . . . . . . . . . . 162--174
Constantine Bekas and
Yousef Saad and
Murilo L. Tiago and
James R. Chelikowsky Computing charge densities with
partially reorthogonalized Lanczos . . . 175--186
Nobuyoshi Komatsu and
Takashi Abe Noise-driven numerical irreversibility
in molecular dynamics technique . . . . 187--196
M. Aichinger and
S. A. Chin and
E. Krotscheck Fourth-order algorithms for solving
local Schrödinger equations in a strong
magnetic field . . . . . . . . . . . . . 197--207
S. Wolf and
L. A. Hillenbrand Debris disk radiative transfer
simulation tool (DDS) . . . . . . . . . 208--218
Anonymous Contents to volume 171 . . . . . . . . . 219--220
Anonymous Author index to volume 171 . . . . . . . 221--222
Anonymous Program index to volume 171 . . . . . . 223--224
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--vi
Anonymous Editorial Board . . . . . . . . . . . . ??
Dhiranjan Roy and
Ranjan Bhattacharya Multivariate approximants with
Levin-like transforms . . . . . . . . . 1--18
M. Morhác and
J. Kliman and
M. Jandel and
L. Krupa and
V. Matousek and
J. H. Hamilton and
A. V. Ramayya Efficient fitting algorithms applied to
analysis of coincidence $ \gamma $-ray
spectra . . . . . . . . . . . . . . . . 19--41
J. Bradley and
S. F. C. O'Rourke and
R. T. Pedlow and
D. S. F. Crothers Other uses of the program `ARGON.f90' 42--44
M. Yu. Kalmykov and
A. Sheplyakov lsjk --- a C++ library for
arbitrary-precision numeric evaluation
of the generalized log-sine functions 45--59
A. Deveikis and
A. Kuznecovas The analytical Scheme calculator for
angular momentum coupling and recoupling
coefficients . . . . . . . . . . . . . . 60--67
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--viii
Anonymous Editorial Board . . . . . . . . . . . . ??
Haibo Yu and
Wilfred F. van Gunsteren Accounting for polarization in molecular
simulation . . . . . . . . . . . . . . . 69--85
Tilo Beyer and
Gernot Schaller and
Andreas Deutsch and
Michael Meyer-Hermann Parallel dynamic and kinetic regular
triangulation in three dimensions . . . 86--108
R. M. Rauenzahn and
V. A. Mousseau and
D. A. Knoll Temporal accuracy of the nonequilibrium
radiation diffusion equations employing
a Saha ionization model . . . . . . . . 109--118
E. A. Belli and
G. W. Hammett A numerical instability in an ADI
algorithm for gyrokinetics . . . . . . . 119--132
P. Bogdanovich and
R. Karpuskiene and
A. Momkauskaite A program of generation and selection of
configurations for the configuration
interaction method in atomic
calculations SELECTCONF . . . . . . . . 133--143
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--vi
Anonymous Editorial Board . . . . . . . . . . . . ??
Justin Foley and
K. Jimmy Juge and
Alan Ó Cais and
Mike Peardon and
Sinéad M. Ryan and
Jon-Ivar Skullerud and
TrinLat Collaboration Practical all-to-all propagators for
lattice QCD . . . . . . . . . . . . . . 145--162
Stephan Dürr Gauge action improvement and smearing 163--186
Peter Koval and
Stephan Fritzsche Relativistic central-field Green's
functions for the Ratip package . . . . 187--202
A. Gazizov and
M. Kowalski ANIS: High energy neutrino generator for
neutrino telescopes . . . . . . . . . . 203--213
Semra Gündüç and
Mehmet Dilaver and
Meral Aydin and
Yigit Gündüç Erratum to ``A study of dynamic finite
size scaling behavior of the scaling
functions-calculation of dynamic
critical index of Wolff algorithm''
[Computer Physics Communications \bf 166
(2005) 1--7] . . . . . . . . . . . . . . 214--214
Anonymous Contents to Volume 172 . . . . . . . . . 215--216
Anonymous Author Index to Volume 172 . . . . . . . 217--218
Anonymous Program Index to Volume 172 . . . . . . 219--219
Anonymous Editorial Board . . . . . . . . . . . . ??
J. A. Alford Calculation of the generalized leaky
aquifer integral . . . . . . . . . . . . 1--8
G. Alvarez and
A. Hernández Encinas and
L. Hernández Encinas and
A. Martín del Rey A secure scheme to share secret color
images . . . . . . . . . . . . . . . . . 9--16
S. Ii and
M. Shimuta and
F. Xiao A 4th-order and single-cell-based
advection scheme on unstructured grids
using multi-moments . . . . . . . . . . 17--33
Margaritis Kostoglou On the constant kernel Smoluchowski
equation: fast algorithm for solution
with arbitrary initial conditions . . . 34--40
Nicolae Carjan and
Margarit Rizea and
Dan Strottman Improved boundary conditions for the
decay of low lying metastable proton
states in a time-dependent approach . . 41--60
D. Van Dyck and
G. Brinkmann and
V. Fack and
B. D. McKay To be or not to be Yutsis: Algorithms
for the decision problem . . . . . . . . 61--70
P. Homola and
D. Góra and
D. Heck and
H. Klages and
J. P\kekala and
M. Risse and
B. Wilczy\'nska and
H. Wilczy\'nski Simulation of ultra-high energy photon
propagation in the geomagnetic field . . 71--90
T. Radtke and
S. Fritzsche Simulation of $n$-qubit quantum systems.
I. Quantum registers and quantum gates 91--113
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--viii
Anonymous Editorial Board . . . . . . . . . . . . ??
Hans Van de Vyver Stability and phase-lag analysis of
explicit Runge--Kutta methods with
variable coefficients for oscillatory
problems . . . . . . . . . . . . . . . . 115--130
Olivier Quinet and
Beno\^\it Champagne and
Paolo Lazzeretti Rototranslational sum rules for static
and dynamic polarisabilities . . . . . . 131--139
D. Ursescu and
M. Tomaselli and
T. Kuehl and
S. Fritzsche Symbolic algorithms for the computation
of Moshinsky brackets and nuclear matrix
elements . . . . . . . . . . . . . . . . 140--161
L. Bogacz and
Z. Burda and
W. Janke and
B. Waclaw A program generating homogeneous random
graphs with given weights . . . . . . . 162--174
S. Chekanov RunMC-an object-oriented analysis
framework for Monte Carlo simulation of
high-energy particle collisions . . . . 175--185
A. Deveikis A program for generating one-particle
and two-particle coefficients of
fractional parentage for the single
$j$-orbit with isospin . . . . . . . . . 186--192
Anonymous Contents to volume 173 . . . . . . . . . 193--194
Anonymous Author index to volume 173 . . . . . . . 195--196
Anonymous Program index to volume 173 . . . . . . 197--198
Anonymous Editorial Board . . . . . . . . . . . . ??
Jonathan de Matos and
Eduardo Bortolato and
Alexandre Camilo, Jr. and
João A. Martini and
Ronaldo A. L. Gonçalves and
Paulo S. L. de Souza Binary SCF: GAMESS improvements for
energy evaluation based on SCF methods 1--16
Daniel Herzbach and
Martin H. Müser Piezoelectric coefficients by molecular
dynamics simulations in the constant
stress ensemble: a case study of quartz 17--23
P. J. Hasnip and
C. J. Pickard Electronic energy minimisation with
ultrasoft pseudopotentials . . . . . . . 24--29
A. Grau Carles and
A. Grau Malonda CHEREN2, the Cherenkov counting
efficiency by an anisotropy detection
model . . . . . . . . . . . . . . . . . 30--34
A. Grau Carles EMILIA, the LS counting efficiency for
electron-capture and capture-gamma
emitters . . . . . . . . . . . . . . . . 35--46
P. Bechtle and
K. Desch and
P. Wienemann Fittino, a program for determining MSSM
parameters from collider observables
using an iterative method . . . . . . . 47--70
Alejandro Lorca and
Tord Riemann An integrated tool for loop
calculations: aITALC . . . . . . . . . . 71--82
Andrzej Daniluk and
Kazimierz Skrobas A new version of a computer program for
dynamical calculations of RHEED
intensity oscillations . . . . . . . . . 83--85
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--vii
Anonymous Editorial Board . . . . . . . . . . . . ??
Anonymous Publisher's Note . . . . . . . . . . . . ix--ix
C. Urbach and
K. Jansen and
A. Shindler and
U. Wenger HMC algorithm with multiple time scale
integration and mass preconditioning . . 87--98
A. Mohammadian and
D. Y. Le Roux Conservative semi-implicit
semi-Lagrangian scheme for simulation of
shallow flows . . . . . . . . . . . . . 99--108
Zhongcheng Wang Trigonometrically-fitted method with the
Fourier frequency spectrum for undamped
Duffing equation . . . . . . . . . . . . 109--118
R. Krivec and
V. B. Mandelzweig Quasilinearization method and WKB . . . 119--126
Branislav Radjenovi\'c and
Jae Koo Lee and
Marija Radmilovi\'c-Radjenovi\'c Sparse field level set method for
non-convex Hamiltonians in $3$D plasma
etching profile simulations . . . . . . 127--132
Stephen P. Martin and
David G. Robertson TSIL: a program for the calculation of
two-loop self-energy integrals . . . . . 133--151
Ioannis G. Tsoulos and
Isaac E. Lagaris Genetically controlled random search: a
global optimization method for
continuous multidimensional functions 152--159
D. Nikezic and
K. N. Yu Computer program TRACK\_TEST for
calculating parameters and plotting
profiles for etch pits in nuclear track
materials . . . . . . . . . . . . . . . 160--165
Ioannis G. Tsoulos and
Isaac E. Lagaris MinFinder: Locating all the local minima
of a function . . . . . . . . . . . . . 166--179
Anonymous Editorial Board . . . . . . . . . . . . ??
Krzysztof Pomorski Gauss--Hermite approximation formula . . 181--186
J. B. Wang and
J. Pan Acoustical wave propagator with modified
Chebyshev expansion . . . . . . . . . . 187--190
Sven Schubert and
Karl Heinz Hoffmann The structure of enumerated spin glass
state spaces . . . . . . . . . . . . . . 191--197
N. D. Blakeley and
R. P. Millane Exact enumeration of the ground states
of a triangular Ising antiferromagnet 198--201
G. Gaigalas and
O. Scharf and
S. Fritzsche Hyperfine structure parametrisation in
Maple . . . . . . . . . . . . . . . . . 202--221
D. Ma\^\itre HPL, a Mathematica implementation of the
harmonic polylogarithms . . . . . . . . 222--240
Chao-Hsi Chang and
Jian-Xiong Wang and
Xing-Gang Wu BCVEGPY2.0: An upgraded version of the
generator BCVEGPY with the addition of
hadroproduction of the $ {P} $-wave $ B
c $ states . . . . . . . . . . . . . . . 241--251
A. Jacholkowska and
J. Kalinowski and
Z. W\kas Erratum to ``Library of SM and anomalous
WW $ \gamma $ couplings for the $ e^+
e^- \to f \bar {f} n \gamma $ Monte
Carlo programs'' [Comput. Phys. Commun.
124 (2000) 238] . . . . . . . . . . . . 253--253
Anonymous Editorial Board . . . . . . . . . . . . ??
Anonymous Editorial Board . . . . . . . . . . . . ??
Hans Van de Vyver A fourth-order symplectic exponentially
fitted integrator . . . . . . . . . . . 255--262
Kwang Jin Oh and
Michael L. Klein A parallel molecular dynamics simulation
scheme for a molecular system with bond
constraints in NPT ensemble . . . . . . 263--269
Ke Tang and
Huaiwu Zhang and
Zhiyong Zhong Lekner summation for two-dimensional
magnetic dipolar interaction energy . . 270--272
Oleg Zatsarinny BSR: B-spline atomic $R$-matrix codes 273--356
Anonymous Editorial Board . . . . . . . . . . . . ??
V. Ledoux and
M. Van Daele and
G. Vanden Berghe CPM$ \{ P, N \} $ methods extended for
the solution of coupled channel
Schrödinger equations . . . . . . . . . . 357--370
Weichung Wang and
Tsung-Min Hwang and
Jia-Chuan Jang A second-order finite volume scheme for
three dimensional truncated pyramidal
quantum dot . . . . . . . . . . . . . . 371--385
Limin Wang and
Wei Ge and
Jinghai Li A new wall boundary condition in
particle methods . . . . . . . . . . . . 386--390
D. S. Vlachos and
T. E. Simos PDSW: a program for the calculation of
photon energy distribution resulting
from radioactive elements in seawater 391--395
Dieter Bauer and
Peter Koval Qprop: a Schrödinger-solver for intense
laser-atom interaction . . . . . . . . . 396--421
Frank Eisenmenger and
Ulrich H. E. Hansmann and
Shura Hayryan and
Chin-Kun Hu An enhanced version of SMMP-open-source
software package for simulation of
proteins . . . . . . . . . . . . . . . . 422--429
Anonymous Editorial Board . . . . . . . . . . . . ??
R. Gutiérrez-Castrejón and
M. Duelk Using LabVIEW for advanced nonlinear
optoelectronic device simulations in
high-speed optical communications . . . 431--440
Heinrich Voss Numerical calculation of the electronic
structure for three-dimensional quantum
dots . . . . . . . . . . . . . . . . . . 441--446
Dongmei Wu and
Zhongcheng Wang A Mathematica program for the
approximate analytical solution to a
nonlinear undamped Duffing equation by a
new approximate approach . . . . . . . . 447--463
A. Bel'kov and
S. Shulga BtoVVana: the package for analysis of $
B_s^0 \to J / \psi \phi $ and $ B_d^0
\to J / \psi K^* $ decays . . . . . . . 464--480
A. Andonov and
A. Arbuzov and
D. Bardin and
S. Bondarenko and
P. Christova and
L. Kalinovskaya and
G. Nanava and
W. von Schlippe SANCscope-v.1.00 . . . . . . . . . . . . 481--517
Poul Martin Hansen and
Iva Marija Toli\'c-Nòrrelykke and
Henrik Flyvbjerg and
Kirstine Berg-Sòrensen tweezercalib 2.0: Faster version of
Matlab package for precise calibration
of optical tweezers . . . . . . . . . . 518--520
Anonymous Editorial Board . . . . . . . . . . . . ??
D. C. Rapaport Multibillion-atom molecular dynamics
simulation: Design considerations for
vector-parallel processing . . . . . . . 521--529
Y. Kurihara and
T. Kaneko Numerical contour integration for loop
integrals . . . . . . . . . . . . . . . 530--539
Robert J. Thacker and
H. M. P. Couchman A parallel adaptive $ P^3 M $ code with
hierarchical particle reordering . . . . 540--554
Ioannis G. Tsoulos and
Dimitris Gavrilis and
Evangelos Dermatas GDF: a tool for function estimation
through grammatical evolution . . . . . 555--559
Kwang Jin Oh and
Michael L. Klein A general purpose parallel molecular
dynamics simulation program . . . . . . 560--568
G. M. von Hippel TaylUR, an arbitrary-order diagonal
automatic differentiation package for
Fortran 95 . . . . . . . . . . . . . . . 569--576
G. Bélanger and
F. Boudjema and
A. Pukhov and
A. Semenov micrOMEGAs: Version 1.3 . . . . . . . . 577--604
U. Becciani and
M. Comparato and
V. Antonuccio-Delogu FLY MPI-2: a parallel tree code for LSS 605--606
Anonymous Editorial Board . . . . . . . . . . . . ??
Christine Böckmann and
Andreas Kirsche Iterative regularization method for
lidar remote sensing . . . . . . . . . . 607--615
J. Pagaran and
S. Fritzsche and
G. Gaigalas Maple procedures for the coupling of
angular momenta. IX. Wigner
$D$-functions and rotation matrices . . 616--630
A. S. Kapoyannis and
A. I. Karanikas and
C. N. Ktorides A numerical algorithm for efficiently
obtaining a Feynman parameter
representation of one-gluon loop QCD
Feynman diagrams for a large number of
external gluons . . . . . . . . . . . . 631--642
I. C. Demetriou L2CXCV: a Fortran 77 package for least
squares convex/concave data smoothing 643--668
Adam Kisiel and
Tomasz Talu\'c and
Wojciech Broniowski and
Wojciech Florkowski THERMINATOR: THERMal heavy-IoN generATOR 669--687
Anonymous Editorial Board . . . . . . . . . . . . ??
T. Schwartzkopff and
F. Lörcher and
C.-D. Munz and
R. Schneider Arbitrary high order finite-volume
methods for electromagnetic wave
propagation . . . . . . . . . . . . . . 689--703
H. J. Limbach and
A. Arnold and
B. A. Mann and
C. Holm ESPResSo --- an extensible simulation
package for research on soft matter
systems . . . . . . . . . . . . . . . . 704--727
A. B. Arbuzov and
M. Awramik and
M. Czakon and
A. Freitas and
M. W. Grünewald and
K. Mönig and
S. Riemann and
T. Riemann ZFITTER: a semi-analytical program for
fermion pair production in $ e^+ e^- $
annihilation, from version 6.21 to
version 6.42 . . . . . . . . . . . . . . 728--758
S. Moch and
P. Uwer XSummer --- Transcendental functions and
symbolic summation in Form . . . . . . . 759--770
Anonymous Editorial Board . . . . . . . . . . . . ??
E. A. Dorfi and
H. Pikall and
A. Stökl and
A. Gautschy Towards a more consistent discretization
scheme for adaptive implicit RHD
computations . . . . . . . . . . . . . . 771--782
Franz Schreier Optimized evaluation of a large sum of
functions using a three-grid approach 783--792
Gábor Tóth Flexible, efficient and robust algorithm
for parallel execution and coupling of
components in a framework . . . . . . . 793--802
H. De Raedt and
K. De Raedt and
K. Michielsen and
S. Miyashita Efficient data processing and quantum
phenomena: Single-particle systems . . . 803--817
P. Golonka and
B. Kersevan and
T. Pierzchala and
E. Richter-W\kas and
Z. W\kas and
M. Worek The tauola-photos-$F$ environment for
the TAUOLA and PHOTOS packages, release
II . . . . . . . . . . . . . . . . . . . 818--835
Claudine Gutlé Analytic exchange integral for coupled
cluster theory in the homogeneous
electron gas . . . . . . . . . . . . . . 836--845
Ioannis G. Tsoulos and
Isaac E. Lagaris GenAnneal: Genetically modified
Simulated Annealing . . . . . . . . . . 846--851
Anonymous Editorial Board . . . . . . . . . . . . ??
Robin Steinigeweg and
Heinz-Jürgen Schmidt Symplectic integrators for classical
spin systems . . . . . . . . . . . . . . 853--861
João V. B. Ferreira and
Valter L. Líbero and
Luiz N. Oliveira Multi-step transformation in numerical
renormalization group . . . . . . . . . 862--868
Luciano M. Barone and
Simone Cau and
Francesca Cavallari and
Silvia Costantini and
Ioan Dafinei and
Marcella Diemoz and
Remo Moro and
Giovanni Organtini and
Riccardo Paramatti and
Fabio Pellegrino REDACLE: a flexible database for
traceability and workflow management for
detector construction . . . . . . . . . 869--875
F. Krauss and
A. Schälicke and
G. Soff APACIC++ 2.0. A PArton Cascade In C++ 876--902
K. Rykhlinskaya and
S. Fritzsche Generation of Clebsch--Gordan
coefficients for the point and double
groups . . . . . . . . . . . . . . . . . 903--913
Bruno Juliá-Díaz and
Joseph M. Burdis and
Frank Tabakin QDENSITY --- a Mathematica Quantum
Computer simulation . . . . . . . . . . 914--934
Anonymous Editorial Board . . . . . . . . . . . . ??
T. Speer and
R. Frühwirth A Gaussian-sum filter for vertex
reconstruction . . . . . . . . . . . . . 935--947
K.-H. Hsu and
P.-Y. Chen and
C.-T. Hung and
L.-H. Chen and
J.-S. Wu Development of a parallel Poisson's
equation solver with adaptive mesh
refinement and its application in field
emission prediction . . . . . . . . . . 948--960
Guy V. Norton and
Jorge C. Novarini Finite-difference time-domain simulation
of acoustic propagation in dispersive
medium: An application to bubble clouds
in the ocean . . . . . . . . . . . . . . 961--965
Rakesh Prabhat Tiwari and
Alok Shukla A basis-set based Fortran program to
solve the Gross--Pitaevskii equation for
dilute Bose gases in harmonic and
anharmonic traps . . . . . . . . . . . . 966--982
Sascha Husa and
Ian Hinder and
Christiane Lechner Kranc: a Mathematica package to generate
numerical codes for tensorial evolution
equations . . . . . . . . . . . . . . . 983--1004
Anonymous Contents to volume 174 . . . . . . . . . 1005--1010
Anonymous Author index to volume 174 . . . . . . . 1011--1015
Anonymous Program index to volume 174 . . . . . . 1016--1019
Claudia Ambrosch-Draxl and
Jorge O. Sofo Linear optical properties of solids
within the full-potential linearized
augmented planewave method . . . . . . . 1--14
X. Wu and
J. F. Zhu and
J. Z. He and
H. Zhang On stabilization of energy for
Hamiltonian systems . . . . . . . . . . 15--24
Pei-Chi Wu and
Kuo-Chan Huang Parallel use of multiplicative
congruential random number generators 25--29
Mikhail Z. Tokar and
Denis Kalupin and
Denis Pilipenko Numerical solution of transport
equations for plasmas with transport
barriers . . . . . . . . . . . . . . . . 30--35
Hwee Kuan Lee and
Yutaka Okabe and
D. P. Landau Convergence and refinement of the
Wang--Landau algorithm . . . . . . . . . 36--40
Simone Taioli and
Jonathan Tennyson WATERWAVES: wave particles dynamics on a
complex triatomic potential . . . . . . 41--51
G. Gaigalas and
S. Fritzsche and
E. Gaidamauskas and
G. Kirsanskas and
T. Zalandauskas Jahn --- a program for representing
atomic and nuclear states within an
isospin basis . . . . . . . . . . . . . 52--66
Georg K. H. Madsen and
David J. Singh BoltzTraP. A code for calculating
band-structure dependent quantities . . 67--71
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--vii
Anonymous Editorial Board . . . . . . . . . . . . ??
A. Duncan and
R. D. Sedgewick and
R. D. Coalson Fast Fourier Transform simulation
techniques for Coulomb gases . . . . . . 73--77
Wenbin Lin and
Narayan Kovvali and
Lawrence Carin Pseudospectral method based on prolate
spheroidal wave functions for
semiconductor nanodevice simulation . . 78--85
H. Schmitz and
R. Grauer Comparison of time splitting and
backsubstitution methods for integrating
Vlasov's equation with magnetic fields 86--92
Ronald Kleiss and
Achilleas Lazopoulos Error in Monte Carlo, quasi-error in
Quasi-Monte Carlo . . . . . . . . . . . 93--115
Rui P. S. Fartaria and
Rodrigo S. Neves and
Pedro C. R. Rodrigues and
Filomena F. M. Freitas and
Fernando M. S. Silva Fernandes A time saving algorithm for the Monte
Carlo method of Metropolis . . . . . . . 116--121
T. Huber and
D. Ma\^\itre HypExp, a Mathematica package for
expanding hypergeometric functions
around integer-valued parameters . . . . 122--144
T. Radtke and
S. Fritzsche Simulation of $n$-qubit quantum systems.
II. Separability and entanglement . . . 145--166
Anonymous Editorial Board . . . . . . . . . . . . ??
Axel Maas Solving a set of truncated
Dyson--Schwinger equations with a
globally converging method . . . . . . . 167--179
Stefan Bekavac Calculation of massless Feynman
integrals using harmonic sums . . . . . 180--195
Yan Huo and
Heng Liang and
Fengshan Bai An efficient algorithm for computing
permanental polynomials of graphs . . . 196--203
Barna Pongrácz and
Gábor Szederkényi and
Katalin M. Hangos An algorithm for determining a class of
invariants in quasi-polynomial systems 204--211
Edoardo Milotti PLNoise: a package for exact numerical
simulation of power-law noises . . . . . 212--225
I. I. Guseinov and
B. A. Mamedov and
A. S. Ekenoglu Exact analytical expressions and
numerical analysis of two-center
Franck--Condon factors and matrix
elements over displaced harmonic
oscillator wave functions . . . . . . . 226--231
J. Monk and
A. Pilkington ExHuME 1.3: a Monte Carlo event
generator for exclusive diffraction . . 232--239
Anonymous Editorial Board . . . . . . . . . . . . ??
Zhongcheng Wang Trigonometrically-fitted method for a
periodic initial value problem with two
frequencies . . . . . . . . . . . . . . 241--249
P. Popovich and
W. A. Cooper and
L. Villard A full-wave solver of the Maxwell's
equations in $3$D cold plasmas . . . . . 250--263
J. Elezgaray and
M. Laguerre A systematic method to derive force
fields for coarse-grained simulations of
phospholipids . . . . . . . . . . . . . 264--268
Nobuyuki Aiba and
Shinji Tokuda and
Tomoko Ishizawa and
Masao Okamoto Extension of the Newcomb equation into
the vacuum for the stability analysis of
tokamak edge plasmas . . . . . . . . . . 269--289
Ulrich Ellwanger and
Cyril Hugonie NMHDECAY 2.1: An updated program for
sparticle masses, Higgs masses,
couplings and decay widths in the NMSSM 290--303
C. J. Gillan and
A. Schuchinsky and
I. Spence Computing zeros of analytic functions in
the complex plane without using
derivatives . . . . . . . . . . . . . . 304--313
Anonymous Editorial Board . . . . . . . . . . . . ??
Emmanuel Perrey-Debain and
I. David Abrahams A band factorization technique for
transition matrix element asymptotics 315--322
I. J. Bush and
I. T. Todorov and
W. Smith A DAFT DL\_POLY distributed memory
adaptation of the Smoothed Particle Mesh
Ewald method . . . . . . . . . . . . . . 323--329
Dennis C. Smolarski and
Ramesh Balakrishnan and
Eduardo F. D'Azevedo and
John W. Fettig and
Bronson Messer and
Anthony Mezzacappa and
Faisal Saied and
Paul E. Saylor and
F. Douglas Swesty On the performance of SPAI and ADI-like
preconditioners for core collapse
supernova simulations in one spatial
dimension . . . . . . . . . . . . . . . 330--338
Cheng Zhang and
Bhupesh Bansal and
Paulo S. Branicio and
Rajiv K. Kalia and
Aiichiro Nakano and
Ashish Sharma and
Priya Vashishta Collision-free spatial hash functions
for structural analysis of
billion-vertex chemical bond networks 339--347
J. Nikkinen and
S. Fritzsche and
S. Heinäsmäki Revised and extended Utilities for the
Ratip package . . . . . . . . . . . . . 348--358
Fanis G. Kalatzis and
Dimitrios G. Papageorgiou and
Ioannis N. Demetropoulos A programmable optimization environment
using the GAMESS-US and MERLIN/MCL
packages. Applications on intermolecular
interaction energies . . . . . . . . . . 359--371
C. A. Bertulani and
A. Gade MOMDIS: a Glauber model computer code
for knockout reactions . . . . . . . . . 372--380
S. Pozzorini and
E. Remiddi Precise numerical evaluation of the two
loop sunrise graph Master Integrals in
the equal mass case . . . . . . . . . . 381--387
Anonymous Editorial Board . . . . . . . . . . . . ??
P. V. Coveney and
G. De Fabritiis and
M. J. Harvey and
S. M. Pickles and
A. R. Porter Coupled applications on distributed
resources . . . . . . . . . . . . . . . 389--396
A. J. Zakrzewski Highly precise solutions of the
one-dimensional Schrödinger equation with
an arbitrary potential . . . . . . . . . 397--403
R. Balevicius and
A. Dziugys and
R. Kacianauskas and
A. Maknickas and
K. Vislavicius Investigation of performance of
programming approaches and languages
used for numerical simulation of
granular material by the discrete
element method . . . . . . . . . . . . . 404--415
J. Qiang and
D. Todd and
D. Leitner A $3$D model for ion beam formation and
transport simulation . . . . . . . . . . 416--423
V. Ledoux and
M. Rizea and
L. Ixaru and
G. Vanden Berghe and
M. Van Daele Solution of the Schrödinger equation by a
high order perturbation method based on
a linear reference potential . . . . . . 424--439
Andreu Badal and
Josep Sempau A package of Linux scripts for the
parallelization of Monte Carlo
simulations . . . . . . . . . . . . . . 440--450
Anonymous Editorial Board . . . . . . . . . . . . ??
M. M. Ali and
Roger Smith and
S. Hobday The structure of atomic and molecular
clusters, optimised using classical
potentials . . . . . . . . . . . . . . . 451--464
P. Kirby Calculation of spheroidal wave functions 465--472
N. Mohankumar and
Scott M. Auerbach On time-step bounds in unitary quantum
evolution using the Lanczos method . . . 473--481
Baozeng Guo and
Umberto Ravaioli and
Maritin Staedele Full band Monte Carlo calculations of
velocity-field characteristics of
wurtzite ZnO . . . . . . . . . . . . . . 482--486
S. Chumakov and
E. Jankowski and
F. V. Tkachov Optimal Jet Finder (v1.0 C++) . . . . . 487--496
Dirk Puetzfeld PROCRUSTES: a computer algebra package
for post-Newtonian calculations in
General Relativity . . . . . . . . . . . 497--508
N. Sanna and
G. Morelli Erratum to ``SCELib2: the new revision
of SCELib, the parallel computational
library of molecular properties in the
single center approach'' [Computer
Physics Communications \bf 162 (2004)
51--78] . . . . . . . . . . . . . . . . 509--509
Anonymous Editorial Board . . . . . . . . . . . . ??
S. Jadach and
M. Skrzypek Solving constrained Markovian evolution
in QCD with the help of the
non-Markovian Monte Carlo . . . . . . . 511--527
S. Le Bourdiec and
F. de Vuyst and
L. Jacquet Numerical solution of the
Vlasov--Poisson system using generalized
Hermite functions . . . . . . . . . . . 528--544
Fanya Jin and
Honghui Tong and
Zhongbing Shi and
Deli Tang and
Paul K. Chu Effects of external magnetic field on
propagation of electromagnetic wave in
uniform magnetized plasma slabs . . . . 545--552
M. Dilaver and
S. Gündüç and
M. Aydin and
Y. Gündüç Dynamic critical index of the
Swendsen--Wang algorithm by dynamic
finite-size scaling . . . . . . . . . . 553--558
M. Czakon Automatized analytic continuation of
Mellin--Barnes integrals . . . . . . . . 559--571
Poul Martin Hansen and
Iva Marija Tolic-Nòrrelykke and
Henrik Flyvbjerg and
Kirstine Berg-Sòrensen tweezercalib 2.1: Faster version of
Matlab package for precise calibration
of optical tweezers . . . . . . . . . . 572--573
Anonymous Editorial Board . . . . . . . . . . . . ??
Jinn-Liang Liu and
Jen-Hao Chen and
O. Voskoboynikov A model for semiconductor quantum dot
molecule based on the current spin
density functional theory . . . . . . . 575--582
Songwon Seo and
Oakkey Min Axisymmetric SPH simulation of
elasto-plastic contact in the low
velocity impact . . . . . . . . . . . . 583--603
F. Yasar and
K. Demir The study of helix-coil transition of
polyalanine with single histogram method 604--611
V. Ledoux and
L. Gr. Ixaru and
M. Rizea and
M. Van Daele and
G. Vanden Berghe Solution of the Schrödinger equation over
an infinite integration interval by
perturbation methods, revisited . . . . 612--619
Oliver Holub and
Sérgio T. Ferreira Quantitative histogram analysis of
images . . . . . . . . . . . . . . . . . 620--623
Chao-Hsi Chang and
Jian-Xiong Wang and
Xing-Gang Wu An upgraded version of the generator
BCVEGPY2.0 for hadronic production of $
B c $ meson and its excited states . . . 624--627
Anonymous Editorial Board . . . . . . . . . . . . ??
B. B. Beard and
M. Pepe and
S. Riederer and
U.-J. Wiese Efficient cluster algorithm for $ C P(N
- 1) $ models . . . . . . . . . . . . . 629--634
G. Torrieri and
S. Jeon and
J. Letessier and
J. Rafelski SHAREv2: fluctuations and a
comprehensive treatment of decay
feed-down . . . . . . . . . . . . . . . 635--649
Martin Kröger and
Markus Hütter Symbolic computation of the phoretic
acceleration of convex particles
suspended in a non-uniform gas . . . . . 650--664
S. Tsuno and
T. Kaneko and
Y. Kurihara and
S. Odaka and
K. Kato GR@PPA 2.7 event generator for $ p p / p
\bar {p} $ collisions . . . . . . . . . 665--677
Marcin Brzuszek and
Andrzej Daniluk Multithreaded transactions in scientific
computing: New versions of a computer
program for kinematical calculations of
RHEED intensity oscillations . . . . . . 678--681
Anonymous Editorial Board . . . . . . . . . . . . ??
Jianhui Li and
Zhongwu Zhou and
Richard J. Sadus Modified force decomposition algorithms
for calculating three-body interactions
via molecular dynamics . . . . . . . . . 683--691
Zhongcheng Wang Obrechkoff one-step method fitted with
Fourier spectrum for undamped Duffing
equation . . . . . . . . . . . . . . . . 692--699
A. Beddall and
A. Beddall and
A. Bingül and
Y. Durmaz Smoothed multi-variate histogrammed
PDEs, and $ \chi^2 $ optimisation . . . 700--707
Thomas Schanze An exact $D$-dimensional Tsallis random
number generator for generalized
simulated annealing . . . . . . . . . . 708--712
Colin W. Glass and
Artem R. Oganov and
Nikolaus Hansen USPEX --- Evolutionary crystal structure
prediction . . . . . . . . . . . . . . . 713--720
Y.-Y. Lian and
K.-H. Hsu and
Y.-L. Shao and
Y.-M. Lee and
Y.-W. Jeng and
J.-S. Wu Parallel adaptive mesh-refining scheme
on a three-dimensional unstructured
tetrahedral mesh and its applications 721--737
Charlotte Froese Fischer and
Gediminas Gaigalas and
Yuri Ralchenko Some corrections to GRASP92 . . . . . . 738--744
F. A. Parpia and
C. Froese Fischer and
I. P. Grant GRASP92: a package for large-scale
relativistic atomic structure
calculations . . . . . . . . . . . . . . 745--747
Anonymous Editorial Board . . . . . . . . . . . . ??
Christoph Freysoldt and
Philipp Eggert and
Patrick Rinke and
Arno Schindlmayr and
R. W. Godby and
Matthias Scheffler Dielectric anisotropy in the GW
space--time method . . . . . . . . . . . 1--13
Michael Patra and
Marja T. Hyvönen and
Emma Falck and
Mohsen Sabouri-Ghomi and
Ilpo Vattulainen and
Mikko Karttunen Long-range interactions and parallel
scalability in molecular simulations . . 14--22
Magdi Shoucri Numerical solution of the shallow water
equations with a fractional step method 23--32
D. Krsti\'c and
D. Nikezi\'c Input files with ORNL-mathematical
phantoms of the human body for MCNP-4B 33--37
M. Patriarca and
A. Kuronen and
M. Robles and
K. Kaski Three-dimensional interactive Molecular
Dynamics program for the study of defect
dynamics in crystals . . . . . . . . . . 38--47
Alexei F. Cheviakov GeM software package for computation of
symmetries and conservation laws of
differential equations . . . . . . . . . 48--61
S. Kadamani and
A. D. Snider USFKAD: An expert system for partial
differential equations . . . . . . . . . 62--69
Andrzej Daniluk An extension of the computer program for
dynamical calculations of RHEED
intensity oscillations. Heterostructures 70--73
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--vii
Anonymous Editorial Board . . . . . . . . . . . . ??
The Publisher Publisher's Note --- New Editorial
System . . . . . . . . . . . . . . . . . ix--ix
Christophe Besse and
Jean Claudel and
Pierre Degond and
Fabrice Deluzet and
Gérard Gallice and
Christian Tessieras Numerical simulations of the ionospheric
striation model in a non-uniform
magnetic field . . . . . . . . . . . . . 75--90
Harvey Meyer and
Hubert Simma and
Rainer Sommer and
Michele Della Morte and
Oliver Witzel and
Ulli Wolff and
Alpha Collaboration Exploring the HMC trajectory-length
dependence of autocorrelation times in
lattice QCD . . . . . . . . . . . . . . 91--97
M. S. Zakynthinaki and
J. R. Stirling Stochastic optimization for modeling
physiological time series: application
to the heart rate response to exercise 98--108
Zdzislaw Meglicki and
Stephen K. Gray and
Boyana Norris Multigrid FDTD with Chombo . . . . . . . 109--120
K. De Raedt and
K. Michielsen and
H. De Raedt and
B. Trieu and
G. Arnold and
M. Richter and
Th. Lippert and
H. Watanabe and
N. Ito Massively parallel quantum computer
simulator . . . . . . . . . . . . . . . 121--136
Tommy Burch and
Christian Hagen Domain decomposition improvement of
quark propagator estimation . . . . . . 137--145
Stefano Tonzani FERM3D: a finite element R-matrix
electron molecule scattering code . . . 146--156
Sam J. Cipolla An improved version of ISICS: a program
for calculating K-, L- and M-shell cross
sections from PWBA and ECPSSR theory
using a personal computer . . . . . . . 157--159
Anonymous Editorial Board . . . . . . . . . . . . ??
Yueqiang Liu Constructing plasma response models from
full toroidal magnetohydrodynamic
computations . . . . . . . . . . . . . . 161--169
D. de Niem and
E. Kührt and
U. Motschmann A volume-of-fluid method for simulation
of compressible axisymmetric
multi-material flow . . . . . . . . . . 170--190
V. Ledoux and
M. Van Daele and
G. Vanden Berghe A numerical procedure to solve the
multichannel Schrödinger eigenvalue
problem . . . . . . . . . . . . . . . . 191--199
Keijo Mattila and
Jari Hyväluoma and
Tuomo Rossi and
Mats Aspnäs and
Jan Westerholm An efficient swap algorithm for the
lattice Boltzmann method . . . . . . . . 200--210
U. Becciani and
V. Antonuccio-Delogu and
M. Comparato FLY: MPI-2 high resolution code for LSS
cosmological simulations . . . . . . . . 211--217
Andrei Afanasev and
Eugene Chudakov and
Alexander Ilyichev and
Vladimir Zykunov MERADGEN 1.0: Monte Carlo generator for
the simulation of radiative events in
parity conserving doubly-polarized Mòller
scattering . . . . . . . . . . . . . . . 218--231
N. Michel Precise Coulomb wave functions for a
wide range of complex $l$, $ \eta $ and
$z$ . . . . . . . . . . . . . . . . . . 232--249
Rui P. S. Fartaria and
Rodrigo S. Neves and
Pedro C. R. Rodrigues and
Filomena F. M. Freitas and
Fernando M. S. Silva Fernandes Erratum to ``A time saving algorithm for
the Monte Carlo method of Metropolis''
[Computer Physics Communications \bf 175
(2006) 116--121] . . . . . . . . . . . . 250--250
Anonymous Editorial Board . . . . . . . . . . . . ??
Jerzy Grebosz The Cracow code --- an interactive
method of sophisticated online analysis 251--265
N. Mohankumar and
A. Natarajan On the evaluation of $ {H} $ and $ {X} $
functions . . . . . . . . . . . . . . . 266--270
Guowen Han and
Yuefan Deng and
James Glimm and
Glenn Martyna Error and timing analysis of multiple
time-step integration methods for
molecular dynamics . . . . . . . . . . . 271--291
Aiichiro Nakano Pathfinder: a parallel search algorithm
for concerted atomistic events . . . . . 292--299
Anonymous A standard format for Les Houches Event
Files . . . . . . . . . . . . . . . . . 300--304
A. Grau Carles MICELLE, the micelle size effect on the
LS counting efficiency . . . . . . . . . 305--317
Moon Hoe Cha NearFar: a computer program for
nearside-farside decomposition of
heavy-ion elastic scattering amplitude 318--325
Anonymous Editorial Board . . . . . . . . . . . . ??
Anonymous Publisher's Announcement . . . . . . . . ??
Heinrich Fragner Usage of a reconfigurable computer to
simulate multiparticle systems . . . . . 327--333
A. F. Ferrari SusyMath: a Mathematica package for
quantum superfield calculations . . . . 334--346
F. Garcia and
J. Mesa and
J. D. T. Arruda-Neto and
O. Helene and
V. Vanin and
F. Milian and
A. Deppman and
T. E. Rodrigues and
O. Rodriguez The STATFLUX code: a statistical method
for calculation of flow and set of
parameters, based on the
Multiple-Compartment Biokinetical Model 347--361
A. Bret Beam-plasma dielectric tensor with
Mathematica . . . . . . . . . . . . . . 362--366
G. Bélanger and
F. Boudjema and
A. Pukhov and
A. Semenov micrOMEGAs 2.0: a program to calculate
the relic density of dark matter in a
generic model . . . . . . . . . . . . . 367--382
Ulli Wolff and
ALPHA Collaboration Erratum to ``Monte Carlo errors with
less errors'' [Comput. Phys. Comm. \bf
156 (2004) 143--153] . . . . . . . . . . 383--383
Anonymous Editorial Board . . . . . . . . . . . . ??
M. Tentyukov and
J. A. M. Vermaseren Extension of the functionality of the
symbolic program FORM by external
software . . . . . . . . . . . . . . . . 385--405
P. V. Coveney and
R. S. Saksena and
S. J. Zasada and
M. McKeown and
S. Pickles The application hosting environment:
Lightweight middleware for grid-based
computational science . . . . . . . . . 406--418
L. Gargaté and
R. Bingham and
R. A. Fonseca and
L. O. Silva dHybrid: a massively parallel code for
hybrid simulations of space plasmas . . 419--425
Abdelhak Djouadi and
Jean-Lo\"\ic Kneur and
Gilbert Moultaka SuSpect: a Fortran code for the
Supersymmetric and Higgs particle
spectrum in the MSSM . . . . . . . . . . 426--455
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--v
Anonymous Editorial Board . . . . . . . . . . . . ??
A. L. Balandin Vector spherical harmonics application
to $3$-D tomography problem . . . . . . 457--464
K. Steinhöfel and
A. Skaliotis and
A. A. Albrecht Relating time complexity of protein
folding simulation to approximations of
folding time . . . . . . . . . . . . . . 465--470
Fangming Jiang and
Mónica S. A. Oliveira and
Antonio C. M. Sousa Mesoscale SPH modeling of fluid flow in
isotropic porous media . . . . . . . . . 471--480
Tongsong Jiang and
Li Chen Algebraic algorithms for least squares
problem in quaternionic quantum theory 481--485
Erhan Okuyan and
Ugur Güdükbay and
Oguz Gülseren Pattern information extraction from
crystal structures . . . . . . . . . . . 486--506
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--v
Anonymous Editorial Board . . . . . . . . . . . . ??
N. S. Scott and
F. Jézéquel and
C. Denis and
J.-M. Chesneaux Numerical `health check' for scientific
codes: the CADNA approach . . . . . . . 507--521
R. Kissmann and
R. Grauer A low dissipation essentially
non-oscillatory central scheme . . . . . 522--530
Bin Fang and
Yuefan Deng and
Glenn Martyna Performance of the $3$D FFT on the 6D
network torus QCDOC parallel
supercomputer . . . . . . . . . . . . . 531--538
Daniela Tordella and
Michele Iovieno and
Silvano Massaglia Small scale localization in turbulent
flows. A priori tests applied to a
possible Large Eddy Simulation of
compressible turbulent flows . . . . . . 539--549
Kasper Peeters Cadabra: a field-theory motivated
symbolic computer algebra system . . . . 550--558
Charlotte Froese Fischer and
Georgio Tachiev and
Gediminas Gaigalas and
Michel R. Godefroid An MCHF atomic-structure package for
large-scale calculations . . . . . . . . 559--579
Anonymous Editorial Board . . . . . . . . . . . . ??
P. Pedram and
M. Mirzaei and
S. S. Gousheh Using spectral method as an
approximation for solving hyperbolic
PDEs . . . . . . . . . . . . . . . . . . 581--588
Jonathan L. Bentz and
Ryan M. Olson and
Mark S. Gordon and
Michael W. Schmidt and
Ricky A. Kendall Coupled cluster algorithms for networks
of shared memory parallel processors . . 589--600
John Kodet and
Richard H. Judge A new graphical version of STROTAB: The
analysis and fitting of singlet-triplet
spectra of asymmetric top molecules in
the prolate or oblate limits . . . . . . 601--616
T. Radtke and
S. Fritzsche Simulation of $n$-qubit quantum systems.
III. Quantum operations . . . . . . . . 617--633
B. Mohammed-Azizi and
D. E. Medjadi Single particle calculations for a
Woods--Saxon potential with triaxial
deformations, and large Cartesian
oscillator basis (new version code) . . 634--635
Anonymous Editorial Board . . . . . . . . . . . . ??
L. Gr. Ixaru Efficient computation of the Airy
propagators . . . . . . . . . . . . . . 637--641
K. De Raedt and
H. De Raedt and
K. Michielsen A computer program to simulate
Einstein--Podolsky--Rosen--Bohm
experiments with photons . . . . . . . . 642--651
O. Gressel and
U. Ziegler Shearingbox-implementation for the
central-upwind, constraint-transport
MHD-code NIRVANA . . . . . . . . . . . . 652--659
G. De Fabritiis Performance of the Cell processor for
biomolecular simulations . . . . . . . . 660--664
N. Mohankumar Two new series for the Fermi--Dirac
integral . . . . . . . . . . . . . . . . 665--669
Nan Chen and
James A. Glazier and
Jesús A. Izaguirre and
Mark S. Alber A parallel implementation of the
Cellular Potts Model for simulation of
cell-based morphogenesis . . . . . . . . 670--681
K. T. Vu and
J. Butcher and
J. Carminati Similarity solutions of partial
differential equations using DESOLV . . 682--693
Zachary H. Levine and
Alex Volkovitsky and
Howard K. Hung Alignment of fiducial marks in a
tomographic tilt series with an unknown
rotation axis . . . . . . . . . . . . . 694--700
E. Pleguezuelos and
A. Carnicer and
J. Andilla and
E. Martín-Badosa and
M. Montes-Usategui HoloTrap: Interactive hologram design
for multiple dynamic optical trapping 701--709
G. M. von Hippel New version announcement for TaylUR, an
arbitrary-order diagonal automatic
differentiation package for Fortran 95 710--711
Thomas Hahn Cuba --- a library for multidimensional
numerical integration . . . . . . . . . 712--713
Anonymous Editorial Board . . . . . . . . . . . . ??
James R. Chelikowsky and
Murilo L. Tiago and
Yousef Saad and
Yunkai Zhou Algorithms for the evolution of
electronic properties in nanocrystals 1--5
J. Hafner Materials simulations using VASP-a
quantum perspective to materials science 6--13
M. J. Gillan and
D. R. Bowler and
A. S. Torralba and
T. Miyazaki Order-$N$ first-principles calculations
with the CONQUEST code . . . . . . . . . 14--18
Joan Adler and
J. Fox and
R. Kalish and
T. Mutat and
A. Sorkin and
E. Warszarski The essential role of visualization for
modeling nanotubes and nanodiamond . . . 19--20
Agata Kranjc and
Claudio Anselmi and
Paolo Carloni and
Frank E. Blaney Structural models of human big
conductance calcium- and voltage-gated
potassium channels . . . . . . . . . . . 21--26
Francesco Luigi Gervasio Charge transfer mechanism in a
PolydGpdCp fiber and in wet DNA . . . . 27--29
Yong-Ju Kang and
Joongoo Kang and
Yong-Hoon Kim and
Kee Joo Chang First-principles approach to the
electron transport and applications for
devices based on carbon nanotubes and
ultrathin oxides . . . . . . . . . . . . 30--33
A. Yu. Kuksin and
G. E. Norman and
V. V. Stegailov and
A. V. Yanilkin Surface melting of superheated crystals.
Atomistic simulation study . . . . . . . 34--37
Yoong-Kee Choe and
Eiji Tsuchida and
Tamio Ikeshoji Electrical property of a sulfuric
acid-water mixture from the
first-principles molecular dynamics
simulation . . . . . . . . . . . . . . . 38--39
Sul-Ah Ahn and
Myoung Won Cho Exact and fast calculation for
two-dimensional correlated electron
systems: application to the Hubbard
model . . . . . . . . . . . . . . . . . 40--40
Timur T. Bazhirov and
Genri E. Norman and
Vladimir V. Stegailov Cavitation in liquid Pb and Li under
negative pressures . . . . . . . . . . . 41--41
Yong-Sung Kim Asymmetric-dimer-symmetric-dimer mixed
phase on tensile-strained Si(001)
surface . . . . . . . . . . . . . . . . 42--42
Y. Kubota and
K. Nobusada An efficient numerical method for
exciton states in quantum boxes . . . . 43--43
Geunsik Lee and
Jai Sam Kim Adsorption energies of Al, Ga, In, Tl on
Sif(111)-$ 7 \times 7 $ . . . . . . . . 44--44
Jon K. Nilsen Python in scientific computing:
Applications to Bose--Einstein
condensates . . . . . . . . . . . . . . 45--45
Yongjin Park and
Rob J. W. E. Lahaye and
Young Hee Lee Adsorption of Pt on defective carbon
nanotube walls: a DFT approach . . . . . 46--46
K. Shiratori and
K. Nobusada Electronic structure calculations at
constant chemical potential toward the
application to electrochemistry . . . . 47--47
Alexey Kuksin and
Genri Norman and
Vladimir Stegailov and
Alexey Yanilkin Atomistic simulations of structure
transitions and fracture in Fe and Al
single crystals . . . . . . . . . . . . 48--48
Younsuk Yun and
Sang Chul Kwon and
Whung Whoe Kim Ab initio study of planar faults in bcc
Fe and Mo . . . . . . . . . . . . . . . 49--49
Oleg Efimov and
Young-Gui Yoon and
Seung-Hoon Jhi Carcinogenic activity of polycyclic
aromatic hydrocarbons in
first-principles . . . . . . . . . . . . 50--50
Keiji Hayashi and
Noriyoshi Omote and
Daisuke Tanaka Molecular dynamics study of atomistic
mechanisms of wearless friction
determining threshold sliding velocity 51--51
Geunjung Lee and
Jinwoo Jeong and
Young-Gui Yoon Comparison of trajectory based methods
to find transition states . . . . . . . 52--53
Katsuyuki Nobusada and
Kazuhiro Yabana Electric currents in ring-shaped
molecules induced by circularly
polarized laser pulses . . . . . . . . . 54--54
A. Bécoulet and
P. Strand and
H. Wilson and
M. Romanelli and
L.-G. Eriksson and
The contributors to the European Task Force on Integrated Modelling Activity The way towards thermonuclear fusion
simulators . . . . . . . . . . . . . . . 55--59
E. Lefebvre and
E. d'Humi\`eres and
L. Gremillet and
S. Fritzler and
V. Malka Numerical modeling and applications of
laser-accelerated ion beams . . . . . . 60--63
T. Makabe and
T. Shimada and
T. Yagisawa Plasma etching and feature evolution of
organic low- $k$ material by using
VicAddress . . . . . . . . . . . . . . . 64--67
Min Sup Hur and
Hyyong Suk New envelope-kinetic scheme for the
simulation of Raman backward laser
amplification . . . . . . . . . . . . . 68--69
S. S. Kim and
S. W. Yoon Transport simulations for the scrape-off
layer and divertor plasmas in KSTAR
tokamak . . . . . . . . . . . . . . . . 70--71
F. Iza and
J. K. Lee Low-pressure plasma generation inside
slender tubes . . . . . . . . . . . . . 72--75
Xi-Wei Hu and
Zhong-He Jiang and
Shu Zhang and
Minghai Liu The propagation of a microwave in an
atmospheric pressure plasma layer: one-
and two-dimensional numerical solutions 76--77
François Rogier and
Jean-Charles Mateo-Velez and
Géraldine Quinio Numerical modeling of DC discharges in
air flows . . . . . . . . . . . . . . . 78--79
S. Kuhn and
D. D. Tskhakaya and
D. Tskhakaya (Jr. ) The magnetized plasma-wall transition
(PWT) and its relation to fluid boundary
conditions . . . . . . . . . . . . . . . 80--83
Y. Miyagawa and
M. Ikeyama and
S. Miyagawa and
M. Tanaka and
H. Nakadate Plasma analysis for the plasma immersion
ion implantation processing by a PIC-MCC
simulation . . . . . . . . . . . . . . . 84--87
M. M. Turner and
P. Chabert Modelling of dual-frequency capacitive
discharges . . . . . . . . . . . . . . . 88--92
Jongsoo Yoo and
Tongnyeol Rhee and
Chang-Mo Ryu $1$D PIC simulation study of nonlinear
beam plasma interaction . . . . . . . . 93--94
Viktor K. Decyk UPIC: a framework for massively parallel
particle-in-cell codes . . . . . . . . . 95--97
J.-S. Wu and
K.-H. Hsu and
F.-L. Li and
C.-T. Hung and
S.-Y. Jou Development of a parallelized $3$D
electrostatic PIC-FEM code and its
applications . . . . . . . . . . . . . . 98--101
S. Longo Kinetic simulation of neutral and weakly
ionized gases . . . . . . . . . . . . . 102--105
Hae June Lee and
Hyun Jin Yoon and
Jae Koo Lee Simulation of photons from plasmas for
the applications to display devices . . 106--107
Satoshi Hamaguchi and
Masashi Yamashiro and
Hideaki Yamada Atomic-level simulation of
non-equilibrium surface chemical
reactions under plasma-wall interaction 108--109
K. Ostrikov and
I. Levchenko and
S. Xu Computational plasma nanoscience: Where
plasma physics meets surface science . . 110--113
S. W. Chau and
K. L. Hsu and
D. L. Lin and
J. S. Chen and
C. C. Tzeng Modeling and experimental validation of
a 1.2 MW DC transferred well-type plasma
torch . . . . . . . . . . . . . . . . . 114--117
H. C. Kim and
J. P. Verboncoeur Reflection, absorption and transmission
of TE electromagnetic waves propagation
in a nonuniform plasma slab . . . . . . 118--121
Y. J. Hong and
H. S. Ko and
G. Y. Park and
J. K. Lee Kinetic plasma simulations for three
dielectric etchers . . . . . . . . . . . 122--123
H. Abbasi and
M. Ghadimi and
M. Jenab and
N. Javaheri Vlasov model using kinetic phase point
trajectories for the study of BGK modes 124--124
Daeho Kim and
Hyonu Chang and
Chang-Mo Ryu Particle simulation of a magnetized
dual-frequency capacitively coupled
plasma . . . . . . . . . . . . . . . . . 125--125
Sunmi Choi and
Sunghee Lee and
Jaekoo Lee and
Kyungnam Kim and
Geunyoung Yeom Two-dimensional fluid simulation of
large-area plasma source with parallel
resonance antenna . . . . . . . . . . . 126--126
T. H. Chung and
Y. M. Shin Theoretical model of cylindrical
Langmuir probe for low-pressure
electronegative discharges . . . . . . . 127--127
Y. J. Hong and
G. J. Kim and
S. H. Lee and
M. Yoon Comparison between particle-in-cell
Monte--Carlo and fluid simulations of
argon microhollow discharges . . . . . . 128--128
Jonghyuk Kang and
Ganyoung Park and
Jaekoo Lee Particle-In-Cell/Monte Carlo simulation
of CF$_4$ discharge in capacitively
coupled plasma reactor . . . . . . . . . 129--130
G. J. Kim and
Y. J. Hong and
F. Iza and
J. K. Lee Evolution of the electron energy
distribution function in pulsed micro
hollow cathode discharge . . . . . . . . 131--131
S. M. Lee and
Y. S. Seo and
J. K. Lee Paschen breakdown curve by
one-dimensional PIC-MCC simulation . . . 132--132
Sunghee Lee and
Sunmi Choi and
Jongwon Shon Two-dimensional fluid simulation of
VHF-ICP source with parallel resonance
antenna . . . . . . . . . . . . . . . . 133--133
Yong-Su Na and
J. Y. Kim Predictive modelling of advanced tokamak
scenarios . . . . . . . . . . . . . . . 134--134
Y. S. Seo and
S. M. Lee and
J. K. Lee Improvement of luminous efficiency in a
mercury-free flat fluorescent lamp (FFL)
by using fluid simulation . . . . . . . 135--135
S. H. Shin and
D. Y. Jeong and
J. E. Han and
M. Yoon A tunable coherent IR radiation source
based on a self-amplified spontaneous
emission free-electron laser . . . . . . 136--136
J. Simek and
R. Hrach and
P. Jelinek Computational study of negative ions
influence on plasma sheath formation . . 137--137
C.-T. Hung and
M.-H. Hu and
J.-S. Wu and
F.-N. Hwang A new paradigm for solving plasma fluid
modeling equations . . . . . . . . . . . 138--139
Kurt Binder and
Jürgen Horbach and
Andrey Milchev and
Marcus Müller and
Richard Vink Monte Carlo simulations of phase
transitions of systems in nanoscopic
confinement . . . . . . . . . . . . . . 140--145
J. P. Wittmer and
P. Beckrich and
F. Crevel and
C. C. Huang and
A. Cavallo and
T. Kreer and
H. Meyer Are polymer melts ``ideal''? . . . . . . 146--149
Erik Luijten and
Angelo Cacciuto Translocation of polymers out of
confined geometries . . . . . . . . . . 150--153
Philipp Schapotschnikow and
René Pool and
Thijs J. H. Vlugt Selective adsorption of alkyl thiols on
gold in different geometries . . . . . . 154--157
Hans J. Herrmann and
José S. Andrade, Jr. and
Ascânio D. Araújo Particles in fluids . . . . . . . . . . 158--161
Akihiro Nakayama and
Katsuya Hasebe and
Yuki Sugiyama Instability of pedestrian flow in $2$D
optimal velocity model with attractive
interaction . . . . . . . . . . . . . . 162--163
S. Taniguchi and
M. Nakamura and
Masaharu Isobe and
N. Zhao and
M. Sugiyama Heat conduction problem in a
one-dimensional hard-point gas:
Molecular dynamics and extended
thermodynamics . . . . . . . . . . . . . 164--165
Stefan Wessel Simulations of atomic gases on
frustrated optical lattices . . . . . . 166--167
Friederike Schmid and
Dominik Düchs and
Olaf Lenz and
Beate West A generic model for lipid monolayers,
bilayers, and membranes . . . . . . . . 168--171
Frank L. H. Brown Simple models for biomembrane structure
and dynamics . . . . . . . . . . . . . . 172--175
Ming Li and
Zhong-Can Ou-Yang DNA as active polymer: long-range
allosteric effect and chromatin loop
structure . . . . . . . . . . . . . . . 176--179
J. Marro and
Joaquín J. Torres and
Jesús M. Cortés Networks with heterogeneously weighted
connections and partial synchronization
of nodes . . . . . . . . . . . . . . . . 180--183
Kyungsik Kim and
Soo Yong Kim and
Deock-Ho Ha Characteristics of networks in financial
markets . . . . . . . . . . . . . . . . 184--185
Kyoung Eun Lee and
Jae Woo Lee and
Byoung Hee Hong Complex networks in a stock market . . . 186--186
Gyuchang Lim and
Soo Yoo Kim and
Ji-Hyun Kang and
Kyungsik Kim Dynamical models of high-frequency data
analysis . . . . . . . . . . . . . . . . 187--187
Gimoon Nam and
Nam-Kyung Lee Kinetics of a semiflexible chain under
tension . . . . . . . . . . . . . . . . 188--188
Yasunori Sakaniwa and
Hiroyuki Shima Numerical study on critical exponents of
hyperbolic Ising lattice . . . . . . . . 189--189
Takayuki Tatekawa Phase transition in $d$-dimensional
long-range interacting systems . . . . . 190--190
Rubin H. Landau Computational Physics Education; why,
what and how . . . . . . . . . . . . . . 191--194
Koo-Chul Lee and
Julian Lee Programming physics softwares in Flash 195--198
P. H. Borcherds Python: a language for computational
physics . . . . . . . . . . . . . . . . 199--201
Priya Vashishta and
Rajiv K. Kalia and
Aiichiro Nakano Multimillion atom simulations of
dynamics of wing cracks and nanoscale
damage in glass, and hypervelocity
impact damage in ceramics . . . . . . . 202--205
R. Y. Yang and
R. P. Zou and
K. J. Dong and
X. Z. An and
Aibing Yu Simulation of the packing of cohesive
particles . . . . . . . . . . . . . . . 206--209
Yongzhi Chen and
Xin Chen and
Yuefan Deng Simulating botulinum neurotoxin with
constant pH molecular dynamics in
Generalized Born implicit solvent . . . 210--213
Jooneun An and
Sunil Ahn and
Sungho Kim and
Jysoo Lee The design of the application and
service platform for grid pilot services 214--214
Jaegyoon Hahm and
Oh-Kyoung Kwon and
Hun Joo Myung and
Hyoungwoo Park and
Jongsuk Ruth Lee KMI-R1: a Grid middleware package for
K*Grid . . . . . . . . . . . . . . . . . 215--215
Hyung Jinn Kim and
Jong Suk Ruth Lee A study on a data dissemination
mechanism for Grid environment . . . . . 216--216
Jae-Hyuck Kwak and
Sangwan Kim and
Young Chul Hwang and
Pillwoo Lee Development of Web-based Grid service
platform for K*Grid infrastructure . . . 217--217
Daewon Lee and
Jaewook Lee and
Young-Gui Yoon A quadratic string adapted barrier
exploring method for locating transition
states . . . . . . . . . . . . . . . . . 218--218
Jamie Shiers The Worldwide LHC Computing Grid
(worldwide LCG) . . . . . . . . . . . . 219--223
Harvey B. Newman Networking for High Energy and Nuclear
Physics . . . . . . . . . . . . . . . . 224--230
Shawn McKee The ATLAS computing model: status, plans
and future possibilities . . . . . . . . 231--234
Igor Sfiligoi CDF computing . . . . . . . . . . . . . 235--238
Hiroshi Sakamoto Data grid deployment for high energy
physics in Japan . . . . . . . . . . . . 239--242
Dongchul Son and
Jun-Suhk Suh HEP computing in Korea . . . . . . . . . 243--246
Kihyeon Cho Cyberinfrastructure in Korea . . . . . . 247--248
Anonymous Contents . . . . . . . . . . . . . . . . xvii--xxiii
Anonymous CCP2006 Committees . . . . . . . . . . . xiii--xiv
Anonymous Conference photo . . . . . . . . . . . . xv--xv
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--vii
Anonymous Editorial Board . . . . . . . . . . . . ??
Jai Sam Kim and
Jae Koo Lee Preface . . . . . . . . . . . . . . . . xi--xii
Juan Torras and
Yao He and
Chao Cao and
Krishna Muralidharan and
E. Deumens and
H.-P. Cheng and
S. B. Trickey PUPIL: a systematic approach to software
integration in multi-scale simulations 265--279
Clas Persson and
Claudia Ambrosch-Draxl A full-band FPLAPW + $ k \cdot p
$-method for solving the Kohn--Sham
equation . . . . . . . . . . . . . . . . 280--287
Pablo Cerdá-Durán and
Vicent Quilis and
José A. Font AMR simulations of the low $ T l|{W}| $
bar-mode instability of neutron stars 288--297
Amos G. Anderson and
William A. Goddard III and
Peter Schröder Quantum Monte Carlo on graphical
processing units . . . . . . . . . . . . 298--306
Kuo-Chi Liu Numerical analysis of dual-phase-lag
heat transfer in a layered cylinder with
nonlinear interface boundary conditions 307--314
A. V. Kiselev and
T. Wolf Classification of integrable
super-systems using the SsTools
environment . . . . . . . . . . . . . . 315--328
D. L. Patiris and
K. Blekas and
K. G. Ioannides TRIAC II. A Matlab code for track
measurements from SSNT detectors . . . . 329--338
Anonymous Editorial Board . . . . . . . . . . . . ??
M. M. G. Alemany and
Manish Jain and
Murilo L. Tiago and
Yunkai Zhou and
Yousef Saad and
James R. Chelikowsky Efficient first-principles calculations
of the electronic structure of periodic
systems . . . . . . . . . . . . . . . . 339--347
Mary Ann E. Leung and
William P. Reinhardt Efficient parallel implementation of
Bose Hubbard model: Exact numerical
ground states and dynamics of gaseous
Bose--Einstein condensates . . . . . . . 348--356
Marko T. Cvitas and
Stuart C. Althorpe Parallelizable split-operator propagator
for treating Coriolis-coupled quantum
dynamics . . . . . . . . . . . . . . . . 357--361
Bin Fang and
Glenn Martyna and
Yuefan Deng A fine grained parallel smooth particle
mesh Ewald algorithm for biophysical
simulation studies: Application to the
$6$-D torus QCDOC supercomputer . . . . 362--377
Wei Qi and
Jian-xiong Wang FDCSUSYDecay: An MSSM decay package . . 378--390
Edoardo Milotti New version of PLNoise: a package for
exact numerical simulation of power-law
noises . . . . . . . . . . . . . . . . . 391--398
Ulrich Ellwanger and
Cyril Hugonie NMSPEC: a Fortran code for the sparticle
and Higgs masses in the NMSSM with GUT
scale boundary conditions . . . . . . . 399--407
Anonymous Editorial Board . . . . . . . . . . . . ??
S. Jolliet and
A. Bottino and
P. Angelino and
R. Hatzky and
T. M. Tran and
B. F. Mcmillan and
O. Sauter and
K. Appert and
Y. Idomura and
L. Villard A global collisionless PIC code in
magnetic coordinates . . . . . . . . . . 409--425
Kwang Jin Oh and
Yuefan Deng An efficient parallel implementation of
the smooth particle mesh Ewald method
for molecular dynamics simulations . . . 426--431
Patrick Huber and
Joachim Kopp and
Manfred Lindner and
Mark Rolinec and
Walter Winter New features in the simulation of
neutrino oscillation experiments with
GLoBES 3.0: (General Long Baseline
Experiment Simulator) . . . . . . . . . 432--438
Patrick Huber and
Joachim Kopp and
Manfred Lindner and
Mark Rolinec and
Walter Winter GLoBES: General Long Baseline Experiment
Simulator . . . . . . . . . . . . . . . 439--440
S. Jadach and
P. Sawicki mFOAM-1.02: a compact version of the
cellular event generator FOAM . . . . . 441--458
Mark Basham and
Roger A. Bennett Solving surface structures from normal
incidence X-ray standing wave data . . . 459--466
Chao-Hsi Chang and
Jian-Xiong Wang and
Xing-Gang Wu GENXICC: a generator for hadronic
production of the double heavy baryons $
\Xi c c $, $ \Xi b c $, and $ \Xi b b $ 467--478
Anonymous Editorial Board . . . . . . . . . . . . ??
J. M. Franco Exponentially fitted symplectic
integrators of RKN type for solving
oscillatory problems . . . . . . . . . . 479--492
Gianpiero Colonna Improvements of hierarchical algorithm
for equilibrium calculation . . . . . . 493--499
Wen-biao Han and
Xin-hao Liao The adjustment-stabilization method for
constrained systems . . . . . . . . . . 500--505
M. Cavagli\`a and
R. Godang and
L. Cremaldi and
D. Summers Catfish: a Monte Carlo simulator for
black holes at the LHC . . . . . . . . . 506--517
Helio Tsuzuki and
Paulo S. Branicio and
José P. Rino Structural characterization of deformed
crystals by analysis of common atomic
neighborhood . . . . . . . . . . . . . . 518--523
Y. W. Li and
T. Wüst and
D. P. Landau and
H. Q. Lin Numerical integration using Wang--Landau
sampling . . . . . . . . . . . . . . . . 524--529
Franci Merzel and
Fabien Fontaine-Vive and
Mark R. Johnson NMscatt: a program for calculating
inelastic scattering from large
biomolecular systems using classical
force-field simulations . . . . . . . . 530--538
L. Sturesson and
P. Jönsson and
C. Froese Fischer JJGEN: a flexible program for generating
lists of $ j j $-coupled configuration
state functions . . . . . . . . . . . . 539--550
Anonymous Editorial Board . . . . . . . . . . . . ??
Anonymous Publisher's Note . . . . . . . . . . . . ??
Di-Bao Wang and
Fei-Bin Hsiao and
Cheng-Hsin Chuang and
Yung-Chun Lee Algorithm optimization in molecular
dynamics simulation . . . . . . . . . . 551--559
Holger Homann and
Jürgen Dreher and
Rainer Grauer Impact of the floating-point precision
and interpolation scheme on the results
of DNS of turbulence by pseudo-spectral
codes . . . . . . . . . . . . . . . . . 560--565
A. Aydin and
B. Karasözen Symplectic and multi-symplectic methods
for coupled nonlinear Schrödinger
equations with periodic solutions . . . 566--583
J. Avellar and
L. G. S. Duarte and
S. E. S. Duarte and
L. A. C. P. da Mota Determining Liouvillian first integrals
for dynamical systems in the plane . . . 584--596
P. Jönsson and
X. He and
C. Froese Fischer and
I. P. Grant The grasp2K relativistic atomic
structure package . . . . . . . . . . . 597--622
A. Andonov and
A. Arbuzov and
D. Bardin and
S. Bondarenko and
P. Christova and
L. Kalinovskaya and
G. Nanava and
W. von Schlippe Erratum to: ``SANCscope-v.1.00''
[Comput. Phys. Commun. \bf 174 (2006)
481--517, hep-ph/0411186] . . . . . . . 623--624
Anonymous Editorial Board . . . . . . . . . . . . ??
F. Yasar and
M. Dilaver The simulation of spin glass model of
neural networks by the Wang--Landau
algorithm . . . . . . . . . . . . . . . 625--630
Gy\Hoz\Ho I. Egri and
Zoltán Fodor and
Christian Hoelbling and
Sándor D. Katz and
Dániel Nógrádi and
Kálmán K. Szabó Lattice QCD as a video game . . . . . . 631--639
J. M. Martín-García and
R. Portugal and
L. R. U. Manssur The Invar tensor package . . . . . . . . 640--648
O. Chuluunbaatar and
A. A. Gusev and
A. G. Abrashkevich and
A. Amaya-Tapia and
M. S. Kaschiev and
S. Y. Larsen and
S. I. Vinitsky KANTBP: a program for computing energy
levels, reaction matrix and radial wave
functions in the coupled-channel
hyperspherical adiabatic approach . . . 649--675
Tomasz Dziubak and
Jacek Matulewski An object-oriented C++ implementation of
Davidson method for finding a few
selected extreme eigenpairs of a large,
sparse, real, symmetric matrix . . . . . 676--682
Anonymous Editorial Board . . . . . . . . . . . . ??
P.-Y. Chen and
Y.-L. Shao and
K.-W. Cheng and
K.-H. Hsu and
J.-S. Wu and
J.-P. Ju Three-dimensional simulation studies on
electrostatic predictions for carbon
nanotube field effect transistors . . . 683--688
Shaozhong Deng and
Wei Cai and
Donald Jacobs A comparable study of image
approximations to the reaction field . . 689--699
Brendan M. Quine and
Valery Tarasyuk and
Henok Mebrahtu and
Richard Hornsey Determining star-image location: a new
sub-pixel interpolation technique to
process image centroids . . . . . . . . 700--706
S.-L. Chang and
C.-S. Chien Adaptive continuation algorithms for
computing energy levels of rotating
Bose--Einstein condensates . . . . . . . 707--719
Antonio Soto Meca and
Francisco Alhama López and
Carlos González Fernández Density-driven flow and solute transport
problems. A $2$-D numerical model based
on the network simulation method . . . . 720--728
Seong-Kwan Park and
Kyong-Yop Park and
Hi Jun Choe Flow field computation for the high
voltage gas blast circuit breaker with
the moving boundary . . . . . . . . . . 729--737
D. Bardin and
S. Bondarenko and
L. Kalinovskaya and
G. Nanava and
L. Rumyantsev and
W. von Schlippe SANCnews: Sector $ f f b b $ . . . . . . 738--756
Anonymous Editorial Board . . . . . . . . . . . . ??
Th. Monovasilis and
Z. Kalogiratou and
T. E. Simos Families of third and fourth algebraic
order trigonometrically fitted
symplectic methods for the numerical
integration of Hamiltonian systems . . . 757--763
Karsten Ahnert and
Markus Abel Numerical differentiation of
experimental data: local versus global
methods . . . . . . . . . . . . . . . . 764--774
G. Rewoldt and
Z. Lin and
Y. Idomura Linear comparison of gyrokinetic codes
with trapped electrons . . . . . . . . . 775--780
Norio Inui Numerical errors resulting from
finite-difference approximation in
computations of a one-dimensional
Schrödinger equation with the Trotter
formula . . . . . . . . . . . . . . . . 781--786
Claude M. Dion and
Eric Canc\`es Ground state of the time-independent
Gross--Pitaevskii equation . . . . . . . 787--798
Jon Kristian Nilsen MontePython: Implementing Quantum Monte
Carlo using Python . . . . . . . . . . . 799--814
Anonymous Editorial Board . . . . . . . . . . . . ??
A. Stökl and
E. A. Dorfi 2-dimensional implicit hydrodynamics on
adaptive grids . . . . . . . . . . . . . 815--831
Weizhu Bao and
Yunyi Ge and
Dieter Jaksch and
Peter A. Markowich and
Rada M. Weishäupl Convergence rate of dimension reduction
in Bose--Einstein condensates . . . . . 832--850
Jee-Gong Chang and
Cheng-Tai Lee and
Yu-Bin Fang and
Chi-Chuan Hwang Generation of random non-overlapping dot
patterns for light guides using
molecular dynamics simulations with
variable $r$-cut and reflective boundary
techniques . . . . . . . . . . . . . . . 851--862
Marco Ratto and
Andrea Pagano and
Peter Young State Dependent Parameter metamodelling
and sensitivity analysis . . . . . . . . 863--876
H. Yoshiki Addendum to: ``The cross sections for
one phonon emission and absorption by
slow neutrons in superfluid liquid
helium'' [Comput. Phys. Comm. \bf 151
(2) (2003) 141--148]: Angular
distribution of UCN . . . . . . . . . . 877--878
J. Gluza and
K. Kajda and
T. Riemann AMBRE --- a Mathematica package for the
construction of Mellin--Barnes
representations for Feynman integrals 879--893
G. Bélanger and
F. Boudjema and
A. Pukhov and
A. Semenov micrOMEGAs 2.0.7: a program to calculate
the relic density of dark matter in a
generic model . . . . . . . . . . . . . 894--895
Anonymous Editorial Board . . . . . . . . . . . . ??
L. Gr. Ixaru Fast LP method for the Schrödinger
equation . . . . . . . . . . . . . . . . 897--907
E. Lorin and
S. Chelkowski and
A. Bandrauk A numerical Maxwell--Schrödinger model
for intense laser-matter interaction and
propagation . . . . . . . . . . . . . . 908--932
J. Bloch and
A. Frommer and
B. Lang and
T. Wettig An iterative method to compute the sign
function of a non-Hermitian matrix and
its application to the overlap Dirac
operator at nonzero chemical potential 933--943
Michael P. Barnett and
Joseph F. Capitani The MATHSCOUT Mathematica package to
postprocess the output of other
scientific programs . . . . . . . . . . 944--950
Matthias Bollhöfer and
Yvan Notay JADAMILU: a software code for computing
selected eigenvalues of large sparse
symmetric matrices . . . . . . . . . . . 951--964
Man Ho Yip and
M. J. Carvalho A Monte--Carlo maplet for the study of
the optical properties of biological
tissues . . . . . . . . . . . . . . . . 965--975
Ioannis G. Tsoulos and
Dimitris Gavrilis and
Evangelos Dermatas GDF v2.0, an enhanced version of GDF . . 976--977
Anonymous Editorial Board . . . . . . . . . . . . ??
Shin-ichi Satake and
Takafumi Anraku and
Hiroyuki Kanamori and
Tomoaki Kunugi and
Kazuho Sato and
Tomoyoshi Ito Study on high speed parallel algorithm
using PC grid environment for
visualization measurements by Digital
Holographic Particle Tracking
Velocimetry . . . . . . . . . . . . . . 1--7
B. Eliasson A nonuniform nested grid method for
simulations of RF induced ionospheric
turbulence . . . . . . . . . . . . . . . 8--14
J. Vigo-Aguiar and
J. Martín-Vaquero and
H. Ramos Exponential fitting BDF--Runge--Kutta
algorithms . . . . . . . . . . . . . . . 15--34
A. Schiavi A transmission matrix model for ion beam
energy deposition in stack detectors . . 35--39
M. E. Monville and
J. D. Lamb and
J. C. G. Pereira and
J. A. Truter Simulation of laser-induced nanopattern
formation . . . . . . . . . . . . . . . 40--47
G. E. Ballentine and
G. F. Bertsch and
N. Onishi and
K. Yabana Moment distributions of clusters and
molecules in the adiabatic rotor model 48--51
Korneel van den Broek Vscape V1.1.0. An interactive tool for
metastable vacua . . . . . . . . . . . . 52--72
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--vii
Anonymous Editorial Board . . . . . . . . . . . . ??
Ken-ichi Nomura and
Rajiv K. Kalia and
Aiichiro Nakano and
Priya Vashishta A scalable parallel algorithm for
large-scale reactive force-field
molecular dynamics simulations . . . . . 73--87
F. Wrobel Detailed history of recoiling ions
induced by nucleons . . . . . . . . . . 88--104
Patrick H. Brown and
Peter Schuck A new adaptive grid-size algorithm for
the simulation of sedimentation velocity
profiles in analytical
ultracentrifugation . . . . . . . . . . 105--120
Cheol-O Ahn and
Sang Hwan Lee A new treecode for long-range force
calculation . . . . . . . . . . . . . . 121--127
M. J. Rayson and
P. R. Briddon Rapid iterative method for
electronic-structure eigenproblems using
localised basis functions . . . . . . . 128--134
Sylvain Collange and
Marc Daumas and
David Defour Line-by-line spectroscopic simulations
on graphics processing units . . . . . . 135--143
O. Bezshyyko and
A. Dolinskii and
K. Bezshyyko and
I. Kadenko and
R. Yermolenko and
V. Ziemann PETAG01: a program for the direct
simulation of a pellet target . . . . . 144--155
Martin Andersson and
Per Jönsson HFSZEEMAN --- a program for computing
weak and intermediate field fine and
hyperfine structure Zeeman splittings
from MCDHF wave functions . . . . . . . 156--170
Anonymous Editorial Board . . . . . . . . . . . . ??
Changfeng Xue and
Shaozhong Deng New versions of image approximations to
the ionic solvent induced reaction field 171--185
Pedro R. C. da Silveira and
Cesar R. S. da Silva and
Renata M. Wentzcovitch Metadata management for distributed
first principles calculations in VLab
--- a collaborative cyberinfrastructure
for materials computation . . . . . . . 186--198
T. E. Simos High-order closed Newton--Cotes
trigonometrically-fitted formulae for
long-time integration of orbital
problems . . . . . . . . . . . . . . . . 199--207
F. Belletti and
M. Cotallo and
A. Cruz and
L. A. Fernández and
A. Gordillo and
A. Maiorano and
F. Mantovani and
E. Marinari and
V. Martín-Mayor and
A. Muñoz-Sudupe and
D. Navarro and
S. Pérez-Gaviro and
J. J. Ruiz-Lorenzo and
S. F. Schifano and
D. Sciretti and
A. Tarancón and
R. Tripiccione and
J. L. Velasco Simulating spin systems on IANUS, an
FPGA-based computer . . . . . . . . . . 208--216
T. Hahn A Mathematica interface for
FormCalc-generated code . . . . . . . . 217--221
S. Belov and
L. Dudko and
E. Galkin and
A. Gusev and
W. Pokorski and
A. Sherstnev LCG MCDB --- a knowledgebase of
Monte--Carlo simulated events . . . . . 222--229
Jan-Hendrik Jureit and
Christoph A. Stephan Finding the standard model of particle
physics a combinatorial problem . . . . 230--247
Anonymous Editorial Board . . . . . . . . . . . . ??
A. I. Mahdy Interactions of two co-propagating laser
beams in underdense plasmas using a
generalized Peaceman--Rachford ADI form 249--271
Byoungseon Jeon and
Joel D. Kress and
Lee A. Collins and
Niels Grònbech-Jensen Parallel TREE code for two-component
ultracold plasma analysis . . . . . . . 272--279
Aiichiro Nakano A space--time-ensemble parallel nudged
elastic band algorithm for molecular
kinetics simulation . . . . . . . . . . 280--289
J. Xu and
P. N. Ostroumov and
J. Nolen A parallel $3$D Poisson solver for space
charge simulation in cylindrical
coordinates . . . . . . . . . . . . . . 290--300
O. Chuluunbaatar and
A. A. Gusev and
V. P. Gerdt and
V. A. Rostovtsev and
S. I. Vinitsky and
A. G. Abrashkevich and
M. S. Kaschiev and
V. V. Serov POTHMF: a program for computing
potential curves and matrix elements of
the coupled adiabatic radial equations
for a hydrogen-like atom in a
homogeneous magnetic field . . . . . . . 301--330
Anonymous Editorial Board . . . . . . . . . . . . ??
J. Allison and
M. Asai and
G. Barrand and
M. Donszelmann and
K. Minamimoto and
J. Perl and
S. Tanaka and
E. Tcherniaev and
J. Tinslay The Geant4 Visualisation System . . . . 331--365
Radovan Gospavic and
Viktor Popov and
Goran Todorovic Boundary element-dual reciprocity
formulation for bound electron states in
semiconductor quantum wires . . . . . . 366--373
S. Gorbunov and
U. Kebschull and
I. Kisel and
V. Lindenstruth and
W. F. J. Müller Fast SIMDized Kalman filter based track
fit . . . . . . . . . . . . . . . . . . 374--383
Jianhui Li and
Zhongwu Zhou and
Richard J. Sadus Parallel algorithms for molecular
dynamics with induction forces . . . . . 384--392
P. Ditz and
A. Borzi` A cascadic monotonic time-discretized
algorithm for finite-level quantum
control computation . . . . . . . . . . 393--399
Anonymous Editorial Board . . . . . . . . . . . . ??
Lih-Yuan Deng and
Rui Guo and
Dennis K. J. Lin and
Fengshan Bai Improving Random Number Generators in
the Monte Carlo simulations via twisting
and combining . . . . . . . . . . . . . 401--408
Liliana Teodorescu and
Daniel Sherwood High Energy Physics event selection with
Gene Expression Programming . . . . . . 409--419
Bayram Deviren and
Mustafa Keskin and
Osman Canko Dynamic phase transition and
multicritical dynamic phase diagrams of
the kinetic spin-$ 3 / 2 $
Blume--Emery--Griffiths model with
repulsive biquadratic coupling under a
time-dependent oscillating external
field . . . . . . . . . . . . . . . . . 420--437
André Barka and
Clément Picard Implementation of spectral basis
functions in BEM/FEM/GSM Domain
Decomposition Methods devoted to
scattering and radiation applications 438--448
YiMin Tian and
MengZhao Qin and
YongMing Zhang and
Tao Ma The multisymplectic numerical method for
Gross--Pitaevskii equation . . . . . . . 449--458
Jan H. Meinke and
Sandipan Mohanty and
Frank Eisenmenger and
Ulrich H. E. Hansmann SMMP v. 3.0 --- Simulating proteins and
protein interactions in Python and
Fortran . . . . . . . . . . . . . . . . 459--470
Anonymous Editorial Board . . . . . . . . . . . . ??
S. Tabik and
L. F. Romero and
E. M. Garzón and
J. I. Ramos On a model of three-dimensional bursting
and its parallel implementation . . . . 471--485
Yan Feng Li and
Kui Fu Chen Eliminating the picket fence effect of
the fast Fourier transform . . . . . . . 486--491
R. G. M. van der Sman and
S. van der Graaf Emulsion droplet deformation and breakup
with Lattice Boltzmann model . . . . . . 492--504
Gui-qiong Xu Searching for Painlevé integrable
conditions of nonlinear PDEs with
constant parameters using symbolic
computation . . . . . . . . . . . . . . 505--517
Ning Li and
Hua-Xia Zhao and
Sang-Hyun Cho and
Jung-Gil Choi and
Myoung-Hee Kim A fast algorithm for voxel-based
deterministic simulation of X-ray
imaging . . . . . . . . . . . . . . . . 518--523
Micael J. T. Oliveira and
Fernando Nogueira Generating relativistic
pseudo-potentials with explicit
incorporation of semi-core states using
APE, the Atomic Pseudo-potentials Engine 524--534
N. Michel and
M. V. Stoitsov Fast computation of the Gauss
hypergeometric function with all its
parameters complex with application to
the Pöschl--Teller--Ginocchio potential
wave functions . . . . . . . . . . . . . 535--551
Anonymous Editorial Board . . . . . . . . . . . . ??
Lukas Arnold and
Jürgen Dreher and
Rainer Grauer A semi-implicit Hall-MHD solver using
Whistler wave preconditioning . . . . . 553--557
Yousef Elkurdi and
David Fernández and
Evgueni Souleimanov and
Dennis Giannacopoulos and
Warren J. Gross FPGA architecture and implementation of
sparse matrix-vector multiplication for
the finite element method . . . . . . . 558--570
T. F. Jiang Calculation of atomic hydrogen and its
photoelectron spectra in momentum space 571--577
Joris Van Deun and
Ronald Cools Integrating products of Bessel functions
with an additional exponential or
rational factor . . . . . . . . . . . . 578--590
D. Nikezic and
K. N. Yu Computer program TRACK\_VISION for
simulating optical appearance of etched
tracks in CR-39 nuclear track detectors 591--595
Christian Bogner and
Stefan Weinzierl Resolution of singularities for
multi-loop integrals . . . . . . . . . . 596--610
Viktor K. Decyk and
Henry J. Gardner Object-oriented design patterns in
Fortran 90/95: mazev1, mazev2 and mazev3 611--620
E. Francisco and
A. Martín Pendás and
M. A. Blanco EDF: Computing electron number
probability distribution functions in
real space from molecular wave functions 621--634
Anonymous Editorial Board . . . . . . . . . . . . ??
G. A. Esleta and
C. Monterola Structural reinforcement in a
spring-block model of stress-induced
fracture propagation . . . . . . . . . . 635--646
R. De Bartolo and
A. Greco and
P. Veltri A $3$D kinetic-fluid numerical code for
stationary equilibrium states in
magnetized plasmas . . . . . . . . . . . 647--664
I. I. Shevchenko Symbolic computation of the Birkhoff
normal form in the problem of stability
of the triangular libration points . . . 665--672
B. A. Mamedov Accurate evaluation of integrals arising
from the bulk electron densities in
quantum wells of high electron mobility
transistors . . . . . . . . . . . . . . 673--675
Sheng-Gui He and
Dennis J. Clouthier RT3: a Windows program for the
Renner--Teller analysis of $^2 \Pi $
states of triatomic molecules . . . . . 676--684
Arash A. Mostofi and
Jonathan R. Yates and
Young-Su Lee and
Ivo Souza and
David Vanderbilt and
Nicola Marzari \tt wannier90: a tool for obtaining
maximally-localised Wannier functions 685--699
Songxin Liang and
David J. Jeffrey Automatic computation of the travelling
wave solutions to nonlinear PDEs . . . . 700--712
Anonymous Editorial Board . . . . . . . . . . . . ??
Georg M. von Hippel and
Randy Lewis and
Robert G. Petry Evolutionary fitting methods for the
extraction of mass spectra in lattice
field theory . . . . . . . . . . . . . . 713--723
Zak E. Hughes and
Lorna M. Stimson and
Henk Slim and
Juho S. Lintuvuori and
Jaroslav M. Ilnytskyi and
Mark R. Wilson An investigation of soft-core potentials
for the simulation of mesogenic
molecules and molecules composed of
rigid and flexible segments . . . . . . 724--731
M. Calvo and
J. M. Franco and
J. I. Montijano and
L. Rández Sixth-order symmetric and symplectic
exponentially fitted modified
Runge--Kutta methods of Gauss type . . . 732--744
F. Mahmoudi SuperIso: a program for calculating the
isospin asymmetry of $ B \to {K^\star }
y $ in the MSSM . . . . . . . . . . . . 745--754
Tobias Huber and
Daniel Ma\^\itre HypExp 2, Expanding hypergeometric
functions about half-integer parameters 755--776
G. Opletal and
T. C. Petersen and
B. O'Malley and
I. K. Snook and
D. G. McCulloch and
I. Yarovsky HRMC: Hybrid Reverse Monte Carlo method
with silicon and carbon potentials . . . 777--787
C. C. Bordeianu and
C. Besliu and
Al. Jipa and
D. Felea and
I. V. Grossu Scilab software package for the study of
dynamical systems . . . . . . . . . . . 788--793
P.-Y. Chen and
Y.-L. Shao and
K.-W. Cheng and
K.-H. Hsu and
J.-S. Wu and
J.-P. Yu Erratum to ``Three-dimensional
simulation studies on electrostatic
predictions for carbon nanotube field
effect transistors'' [Comput. Phys.
Commun. \bf 177 (2007) 683--688] . . . . 794--794
Anonymous Editorial Board . . . . . . . . . . . . ??
Tongsong Jiang and
Li Chen An algebraic method for Schrödinger
equations in quaternionic quantum
mechanics . . . . . . . . . . . . . . . 795--799
L. F. Romero and
Siham Tabik and
Jesús M. Vías and
Emilio L. Zapata Fast clear-sky solar irradiation
computation for very large digital
elevation models . . . . . . . . . . . . 800--808
G. Colonna and
A. Laricchiuta General numerical algorithm for
classical collision integral calculation 809--816
Tirath Ramdas and
Gregory K. Egan and
David Abramson and
Kim K. Baldridge On ERI sorting for SIMD execution of
large-scale Hartree--Fock SCF . . . . . 817--834
S. Janecek and
E. Krotscheck A fast and simple program for solving
local Schrödinger equations in two and
three dimensions . . . . . . . . . . . . 835--842
Ioannis G. Tsoulos and
I. E. Lagaris GenMin: An enhanced genetic algorithm
for global optimization . . . . . . . . 843--851
Torbjörn Sjöstrand and
Stephen Mrenna and
Peter Skands A brief introduction to PYTHIA 8.1 . . . 852--867
Guido R. Mocken and
Christoph H. Keitel FFT-split-operator code for solving the
Dirac equation in 2+1 dimensions . . . . 868--882
D. Tordella and
M. Iovieno and
S. Massaglia Erratum to: \booktitleSmall scale
localization in turbulent flows. A
priori tests applied to a possible Large
Eddy Simulation of compressible
turbulent flows [Comput. Phys. Comm. 176
(2007) 539--549] . . . . . . . . . . . . 883--884
Anonymous Editorial Board . . . . . . . . . . . . ??
B. Karasözen and
A. D. Nemtsev and
V. G. Tsybulin Staggered grids discretization in
three-dimensional Darcy convection . . . 885--893
M. D. Mazzeo and
P. V. Coveney HemeLB: a high performance parallel
lattice-Boltzmann code for large scale
fluid flow in complex geometries . . . . 894--914
Keizo Fujimoto and
Richard D. Sydora Electromagnetic particle-in-cell
simulations on magnetic reconnection
with adaptive mesh refinement . . . . . 915--923
Kui Fu Chen and
Yan Feng Li Combining the Hanning windowed
interpolated FFT in both directions . . 924--928
Gary Felder and
Igor Tkachev LATTICEEASY: a program for lattice
simulations of scalar fields in an
expanding universe . . . . . . . . . . . 929--932
Fabienne Jézéquel and
Jean-Marie Chesneaux CADNA: a library for estimating
round-off error propagation . . . . . . 933--955
O. Pisanti and
A. Cirillo and
S. Esposito and
F. Iocco and
G. Mangano and
G. Miele and
P. D. Serpico PArthENoPE: Public algorithm evaluating
the nucleosynthesis of primordial
elements . . . . . . . . . . . . . . . . 956--971
K. S. Kölbig and
B. Schorr Erratum to: ``A program package for the
Landau distribution'' [Comput. Phys.
Commun. \bf 31 (1984) 97--111] . . . . . 972--972
Anonymous Editorial Board . . . . . . . . . . . . ??
Kurt Binder and
Subir K. Das and
Jürgen Horbach and
Sanjay Puri Simulation of surface-controlled phase
separation in slit pores: Diffusive
Ginzburg--Landau kinetics versus
Molecular Dynamics . . . . . . . . . . . 1--7
D. P. Landau and
Fugao Wang and
Shan-Ho Tsai Critical endpoint behavior: a
Wang--Landau study . . . . . . . . . . . 8--12
S. Jungblut and
K. Binder and
T. Schilling Isotropic-isotropic phase separation in
mixtures of rods and spheres: Some
aspects of Monte Carlo simulation in the
grand canonical ensemble . . . . . . . . 13--16
W. Paul and
F. Rampf and
T. Strauch and
K. Binder Phase transitions in a single polymer
chain: a micro-canonical analysis of
Wang--Landau simulations . . . . . . . . 17--20
Bernd A. Berg and
Wolfhard Janke Multibondic cluster algorithm for
finite-size scaling studies of critical
phenomena . . . . . . . . . . . . . . . 21--25
Giovanni Bussi and
Michele Parrinello Stochastic thermostats: comparison of
local and global schemes . . . . . . . . 26--29
Andreas Tröster Monte Carlo simulation in Fourier space 30--33
Titus S. van Erp Efficient path sampling on multiple
reaction channels . . . . . . . . . . . 34--40
Harald Oberhofer and
Christoph Dellago Optimum bias for fast-switching free
energy calculations . . . . . . . . . . 41--45
J. W. Eastwood The Block-P$^3 M$ algorithm . . . . . . 46--50
Matej Praprotnik and
Christoph Junghans and
Luigi Delle Site and
Kurt Kremer Simulation approaches to soft matter:
Generic statistical properties vs.
chemical details . . . . . . . . . . . . 51--60
David L. Cheung and
Lucian Anton and
Michael P. Allen and
Andrew J. Masters Computer simulation of liquids and
liquid crystals . . . . . . . . . . . . 61--65
R. Andreea Trasca and
Sabine H. L. Klapp Translational order in a nanoconfined
dipolar fluid . . . . . . . . . . . . . 66--70
Christos N. Likos and
Bianca M. Mladek and
Angel J. Moreno and
Dieter Gottwald and
Gerhard Kahl Cluster-forming systems of ultrasoft
repulsive particles: statics and
dynamics . . . . . . . . . . . . . . . . 71--76
H. H. Wensink and
H. Löwen and
M. Rex and
C. N. Likos and
S. van Teeffelen Long-time self-diffusion for Brownian
Gaussian-core particles . . . . . . . . 77--81
Bryan K. Clark and
David M. Ceperley Path integral calculations of vacancies
in solid Helium . . . . . . . . . . . . 82--88
Carlo Pierleoni and
Kris T. Delaney and
Miguel A. Morales and
David M. Ceperley and
Markus Holzmann Trial wave functions for high-pressure
metallic hydrogen . . . . . . . . . . . 89--97
Keiji Hayashi and
Daisuke Tanaka and
Tomoki Maruyama and
Harumi Araki and
Daisuke Matsumura and
Misato Kaneko Velocity-dependent threshold behavior of
wearless nano-friction as studied in
terms of spatial distribution of the
local quasi-temperature . . . . . . . . 98--101
Stoyan Pisov and
Oksana Melikhova and
Marc Hou Mechanical properties of AgCo
nanostructured nanowires . . . . . . . . 102--106
Yiming Li and
Hui-Wen Cheng Numerical simulation of field emission
efficiency of anodic aluminum oxide
carbon nanotube field emitter in the
triode structure . . . . . . . . . . . . 107--111
Cyril Deremble and
Richard Lavery and
Krystyna Zakrzewska Protein-DNA recognition: Breaking the
combinatorial barrier . . . . . . . . . 112--119
V. Carnevale and
S. Raugei and
S. Piana and
P. Carloni On the nature of the reaction
intermediate in the HIV-1 protease: a
quantum chemical study . . . . . . . . . 120--123
T. Wüst and
D. P. Landau The HP model of protein folding: a
challenging testing ground for
Wang--Landau sampling . . . . . . . . . 124--127
R. Ouared and
B. Chopard and
B. Stahl and
D. A. Rüfenacht and
H. Yilmaz and
G. Courbebaisse Thrombosis modeling in intracranial
aneurysms: a lattice Boltzmann numerical
algorithm . . . . . . . . . . . . . . . 128--131
Katrin Rohlf and
Simon Fraser and
Raymond Kapral Reactive multiparticle collision
dynamics . . . . . . . . . . . . . . . . 132--139
Shyam S. Chikatamarla and
Iliya V. Karlin Complete Galilean invariant lattice
Boltzmann models . . . . . . . . . . . . 140--143
J. Marro A brief comment on the modeling of flow 144--149
I. Llopis and
M. Cosentino Lagomarsino and
I. Pagonabarraga and
C. P. Lowe Cooperativity and hydrodynamic
interactions in externally driven
semiflexible filaments . . . . . . . . . 150--154
D. C. Rapaport Molecular dynamics studies of swimming
at the microscopic scale . . . . . . . . 155--158
C. M. Pooley and
J. M. Yeomans Lattice Boltzmann simulation techniques
for simulating microscopic swimmers . . 159--164
G. Van Lier and
C. P. Ewels and
P. Geerlings Automated determination of chemical
functionalisation addition routes based
on magnetic susceptibility and nucleus
independent chemical shifts . . . . . . 165--170
Laurence Leherte and
Daniel P. Vercauteren Collective motions in protein
structures: Applications of elastic
network models built from electron
density distributions . . . . . . . . . 171--180
Stefan Krieg and
Norbert Attig and
Thomas Lippert and
Nigel Cundy A comparison of methods to calculate the
chiral condensate with overlap fermions 181--183
Stephan Rosswog and
Enrico Ramirez-Ruiz and
W. Raphael Hix and
M. Dan Simulating black hole white dwarf
encounters . . . . . . . . . . . . . . . 184--189
Claire Noël and
Yves Busegnies and
Miltiadis V. Papalexandris and
Stephane Goriely Hydrodynamical simulations of
detonations in superbursts . . . . . . . 190--193
F. Subba and
X. Bonnin and
D. Coster and
R. Zanino $2$D fluid modeling of the ASDEX upgrade
scrape-off layer up to the first wall 194--198
C. C. Bordeianu and
D. Felea and
C. Besliu and
A. Jipa and
I. V. Grossu Chaos analysis of a semi-classical
nuclear billiard model . . . . . . . . . 199--201
Anonymous Contents . . . . . . . . . . . . . . . . xv--xvii
Anonymous CCP2007 Committees . . . . . . . . . . . xiv--xiv
Anonymous Conference photo . . . . . . . . . . . . xiii--xiii
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--vii
Anonymous Editorial Board . . . . . . . . . . . . ??
Michel Mareschal and
Paul Geerlings Preface . . . . . . . . . . . . . . . . xi--xii
Minghui Wang and
Musheng Wei and
Yan Feng An iterative algorithm for least squares
problem in quaternionic quantum theory 203--207
S.-L. Chang and
C.-S. Chien and
Z.-C. Li A finite difference continuation method
for computing energy levels of
Bose--Einstein condensates . . . . . . . 208--226
U. Ziegler The NIRVANA code: Parallel computational
MHD with adaptive mesh refinement . . . 227--244
K. Reuter and
F. Jenko and
C. B. Forest and
R. A. Bayliss A parallel implementation of an MHD code
for the simulation of mechanically
driven, turbulent dynamos in spherical
geometry . . . . . . . . . . . . . . . . 245--249
Weiwei Cai and
David J. Ewing and
Lin Ma Application of simulated annealing for
multispectral tomography . . . . . . . . 250--255
Benjamin C. Allanach and
Christopher G. Lester Sampling using a `bank' of clues . . . . 256--266
Hridis Kumar Pal and
Alok Shukla A Fortran 90 program to solve the
Hartree--Fock equations for interacting
spin-$ 1 / 2 $ fermions confined in
harmonic potentials . . . . . . . . . . 267--274
José Luis Gómez-Muñoz and
Julián Bravo-Castillero Calculation of effective conductivity of
$2$D and $3$D composite materials with
anisotropic constituents and different
inclusion shapes in Mathematica . . . . 275--287
Anonymous Editorial Board . . . . . . . . . . . . ??
Yosuke Matsumoto and
Kanako Seki Implementation of the CIP algorithm to
magnetohydrodynamic simulations . . . . 289--296
N. C. Cassol-Seewald and
M. I. M. Copetti and
G. Krein Numerical approximation of the
Ginzburg--Landau equation with memory
effects in the dynamics of phase
transitions . . . . . . . . . . . . . . 297--309
Kyle Beloy and
Andrei Derevianko Application of the dual-kinetic-balance
sets in the relativistic many-body
problem of atomic structure . . . . . . 310--319
Pieter J. in 't Veld and
Steven J. Plimpton and
Gary S. Grest Accurate and efficient methods for
modeling colloidal mixtures in an
explicit solvent using molecular
dynamics . . . . . . . . . . . . . . . . 320--329
Artur Signell and
Francisco Ogando and
Mats Aspnäs and
Jan Westerholm Scalable plasma simulation with ELMFIRE
using efficient data structures for
process communication . . . . . . . . . 330--338
Lixin Zhan A parallel implementation of the
Wang--Landau algorithm . . . . . . . . . 339--344
Wick Haxton and
Cecilia Lunardini SevenOperators, a Mathematica script for
harmonic oscillator nuclear matrix
elements arising in semileptonic
electroweak interactions . . . . . . . . 345--358
F. L. Marquezino and
R. Portugal The QWalk simulator of quantum walks . . 359--369
Anonymous Editorial Board . . . . . . . . . . . . ??
Jalo Liljo and
Anupam Karmakar and
A. Pukhov and
M. Hochbruck One-dimensional electromagnetic
relativistic PIC-hydrodynamic hybrid
simulation code H-VLPL (hybrid virtual
laser plasma lab) . . . . . . . . . . . 371--379
Marcos Pimenta de Abreu Diffuse conditions for efficient
solution of multislab radiation
transport problems . . . . . . . . . . . 380--384
M. Hosseini and
A. Tavana and
M. Akhavan MgB$_2$ under pressure and plane strain:
a DFT study . . . . . . . . . . . . . . 385--390
Yasuhiro Idomura and
Masato Ida and
Takuma Kano and
Nobuyuki Aiba and
Shinji Tokuda Conservative global gyrokinetic toroidal
full- $f$ five-dimensional Vlasov
simulation . . . . . . . . . . . . . . . 391--403
Shin-ichi Satake and
Yoshiaki Hiroi and
Yuya Suzuki and
Nobuyuki Masuda and
Tomoyoshi Ito Special-purpose computer for
two-dimensional FFT . . . . . . . . . . 404--408
Bashir Ahmad and
Badra S. Alghamdi Approximation of solutions of the
nonlinear Duffing equation involving
both integral and non-integral forcing
terms with separated boundary conditions 409--416
Lei Liu and
Jianguo Du and
Jijun Zhao and
Hong Liu and
Di Wu and
Fuliang Zhao Study of high-pressure and
high-temperature behaviors and $ \alpha
$-to-$ \beta $ phase transition of
forsterite by first-principles and
quasi-harmonic Debye model . . . . . . . 417--423
Vineet K. Singh and
Om P. Singh and
Rajesh K. Pandey Numerical evaluation of the Hankel
transform by using linear Legendre
multi-wavelets . . . . . . . . . . . . . 424--429
Géza Tóth QUBIT4MATLAB V3.0: a program package for
quantum information science and quantum
optics for Matlab . . . . . . . . . . . 430--437
E. Fredericks and
F. M. Mahomed and
E. Momoniat and
A. Qadir Constructing a space from the geodesic
equations . . . . . . . . . . . . . . . 438--442
Bernd A. Berg and
Robert C. Harris From data to probability densities
without histograms . . . . . . . . . . . 443--448
Anonymous Editorial Board . . . . . . . . . . . . ??
F. de la Hoz and
F. Vadillo An exponential time differencing method
for the nonlinear Schrödinger equation 449--456
Franz Schreier and
Dieter Kohlert Optimized implementations of rational
approximations --- a case study on the
Voigt and complex error function . . . . 457--465
M. Rizea and
V. Ledoux and
M. Van Daele and
G. Vanden Berghe and
N. Carjan Finite difference approach for the
two-dimensional Schrödinger equation with
application to scission-neutron emission 466--478
Yongzhi Chen and
Yuefan Deng Task mapping on supercomputers with
cellular networks . . . . . . . . . . . 479--485
Jiaqi Chen and
Zhongcheng Wang and
Hezhu Shao and
Hailing Hao Highly-accurate ground state energies of
the He atom and the He-like ions by
Hartree SCF calculation with Obrechkoff
method . . . . . . . . . . . . . . . . . 486--491
S. Nath A Monte Carlo C-code for calculating
transmission efficiency of recoil
separators and viewing residue
trajectories . . . . . . . . . . . . . . 492--500
D. Ma\^\itre and
P. Mastrolia S@M, a Mathematica implementation of the
spinor-helicity formalism . . . . . . . 501--534
Anonymous Editorial Board . . . . . . . . . . . . ??
T. D. Pointon Second-order, exact charge conservation
for electromagnetic particle-in-cell
simulation in complex geometry . . . . . 535--544
Mariana Cécere and
Luis Lehner and
Oscar Reula Constraint preserving boundary
conditions for the Ideal Newtonian MHD
equations . . . . . . . . . . . . . . . 545--554
Sanjukta Chatterjee and
Dhiranjan Roy A class of new transforms tailored for
the hypergeometric series . . . . . . . 555--561
M. S. Zakynthinaki and
J. R. Stirling and
A. López Díaz de Durana and
C. A. Cordente Martínez and
M. Sillero Quintana and
J. Sampedro Molinuevo Stochastic optimization for the
calculation of the optimal critical
curve from experimental data in a model
of the process of regaining balance
after perturbation from quiet stance . . 562--568
Marlies Hankel and
Sean C. Smith and
Stephen K. Gray and
Gabriel G. Balint-Kurti DIFFREALWAVE: a parallel real wavepacket
code for the quantum mechanical
calculation of reactive state-to-state
differential cross sections in atom plus
diatom collisions . . . . . . . . . . . 569--578
G. V. Pereverzev and
G. Corrigan Stable numeric scheme for diffusion
equation with a stiff transport . . . . 579--585
J. M. Martín-García and
D. Yllanes and
R. Portugal The Invar tensor package: Differential
invariants of Riemann . . . . . . . . . 586--590
Kálmán Varga Solution of few-body problems with the
stochastic variational method II:
Two-dimensional systems . . . . . . . . 591--596
José M. Martín-García xPerm: fast index canonicalization for
tensor computer algebra . . . . . . . . 597--603
Gary Felder CLUSTEREASY: a program for lattice
simulations of scalar fields in an
expanding universe on parallel computing
clusters . . . . . . . . . . . . . . . . 604--606
A. Deveikis and
A. Juodagalvis A computer program for two-particle
generalized coefficients of fractional
parentage . . . . . . . . . . . . . . . 607--613
Ioannis G. Tsoulos and
Isaac E. Lagaris MinFinder v2.0: An improved version of
MinFinder . . . . . . . . . . . . . . . 614--615
Sam J. Cipolla An improved version of ISICS: a program
for calculating K-, L- and M-shell cross
sections from PWBA and ECPSSR theory
using a personal computer . . . . . . . 616--616
Anonymous Editorial Board . . . . . . . . . . . . ??
B. van der Holst and
R. Keppens and
Z. Meliani A multidimensional grid-adaptive
relativistic magnetofluid code . . . . . 617--627
Reza Mazrooei-Sebdani and
Mehdi Dehghan A non-trivial relation between some
many-dimensional chaotic discrete
dynamical systems and some
one-dimensional chaotic discrete
dynamical systems . . . . . . . . . . . 628--633
Weiguo Liu and
Bertil Schmidt and
Gerrit Voss and
Wolfgang Müller-Wittig Accelerating molecular dynamics
simulations using Graphics Processing
Units with CUDA . . . . . . . . . . . . 634--641
J. Spray and
J. Hill and
A. Trew Performance of a Lattice Quantum
Chromodynamics kernel on the Cell
processor . . . . . . . . . . . . . . . 642--646
T. Radtke and
S. Fritzsche Simulation of $n$-qubit quantum systems.
IV. Parametrizations of quantum states,
matrices and probability distributions 647--664
Alessandro Cafarella and
Claudio Corian\`o and
Marco Guzzi Precision studies of the NNLO DGLAP
evolution at the LHC with Candia . . . . 665--684
O. Chuluunbaatar and
A. A. Gusev and
S. I. Vinitsky and
A. G. Abrashkevich KANTBP 2.0: New version of a program for
computing energy levels, reaction matrix
and radial wave functions in the
coupled-channel hyperspherical adiabatic
approach . . . . . . . . . . . . . . . . 685--693
Anonymous Editorial Board . . . . . . . . . . . . ??
Ph. Boucaud and
P. Dimopoulos and
F. Farchioni and
R. Frezzotti and
V. Gimenez and
G. Herdoiza and
K. Jansen and
V. Lubicz and
C. Michael and
G. Münster and
D. Palao and
G. C. Rossi and
L. Scorzato and
A. Shindler and
S. Simula and
T. Sudmann and
C. Urbach and
U. Wenger Dynamical twisted mass fermions with
light quarks: simulation and analysis
details . . . . . . . . . . . . . . . . 695--715
Bennett Kalafut and
Koen Visscher An objective, model-independent method
for detection of non-uniform steps in
noisy signals . . . . . . . . . . . . . 716--723
Jian-Guo Liu and
Ye-Zhou Li Auto--Bäcklund transformation and exact
solutions of the generalized
variable-coefficient
Kadomtsev--Petviashvili equation . . . . 724--732
Markus Kuhn and
Hans Walliser Program for calculating SU(4)
Clebsch--Gordan coefficients . . . . . . 733--740
Jordi Mayneris and
Miguel González and
Stephen K. Gray Real wavepacket code for $ A B C + D \to
A B + C D $ reactive scattering . . . . 741--747
D. Caliste and
Y. Pouillon and
M. J. Verstraete and
V. Olevano and
X. Gonze Sharing electronic structure and
crystallographic data with ETSF\_IO . . 748--758
G. Degrassi and
P. Gambino and
P. Slavich SusyBSG: a Fortran code for $ B R[B \to
X s y] $ in the MSSM with Minimal Flavor
Violation . . . . . . . . . . . . . . . 759--771
Anonymous Editorial Board . . . . . . . . . . . . ??
N. Mohankumar and
Scott M. Auerbach Some comments on the use of higher-order
formula for numerical derivatives in
scientific computing . . . . . . . . . . 773--776
Michael L. Parks and
Richard B. Lehoucq and
Steven J. Plimpton and
Stewart A. Silling Implementing peridynamics within a
molecular dynamics code . . . . . . . . 777--783
Fabien Tran and
Jan Kunes and
Pavel Novák and
Peter Blaha and
Laurence D. Marks and
Karlheinz Schwarz Force calculation for orbital-dependent
potentials with FP-(L)APW~+~lo basis
sets . . . . . . . . . . . . . . . . . . 784--790
Shaozhong Deng On the immersed interface method for
solving time-domain Maxwell's equations
in materials with curved dielectric
interfaces . . . . . . . . . . . . . . . 791--800
Yonglei Fang and
Yongzhong Song and
Xinyuan Wu Trigonometrically fitted explicit
Numerov-type method for periodic IVPs
with two frequencies . . . . . . . . . . 801--811
Vineet K. Singh and
Om P. Singh and
Rajesh K. Pandey Efficient algorithms to compute Hankel
transforms using wavelets . . . . . . . 812--818
N. Mohankumar Comments on the accurate evaluation of
integrals arising from the bulk electron
densities in quantum wells . . . . . . . 819--820
D. López-Durán and
E. Bodo and
F. A. Gianturco ASPIN: An a $ l l $ spin scattering code
for atom-molecule rovibrationally
inelastic cross sections . . . . . . . . 821--838
Gregory S. Ho and
Vincent L. Lign\`eres and
Emily A. Carter Introducing PROFESS: a new program for
orbital-free density functional theory
calculations . . . . . . . . . . . . . . 839--854
Anonymous Editorial Board . . . . . . . . . . . . ??
WeiFeng Tao and
DongSheng Cai and
XiaoYang Yan and
Nishikawa Ken-ichi and
Bertrand Lembege Scalability analysis of parallel
Particle-In-Cell codes on computational
grids . . . . . . . . . . . . . . . . . 855--864
R. Krivec and
V. B. Mandelzweig Quasilinearization approach to
computations with singular potentials 865--867
G. M. Petrov and
J. Davis A two-dimensional electromagnetic field
algorithm for high-intensity
laser-target interactions . . . . . . . 868--880
Yago Ascasibar FiEstAS sampling --- a Monte Carlo
algorithm for multidimensional numerical
integration . . . . . . . . . . . . . . 881--887
M. S. Zakynthinaki and
J. R. Stirling Stochastic optimization for the
calculation of the time dependency of
the physiological demand during exercise
and recovery . . . . . . . . . . . . . . 888--894
Ignace Loris L1Packv2: a Mathematica package for
minimizing an $ \ell_1 $-penalized
functional . . . . . . . . . . . . . . . 895--902
Alexandre N. Kireev and
Olivier J. F. Martin Real-time Java simulations of multiple
interference dielectric filters . . . . 903--907
A. Deloff Gauss--Legendre and Chebyshev
quadratures for singular integrals . . . 908--914
G. Carminati and
M. Bazzotti and
A. Margiotta and
M. Spurio Atmospheric MUons from PArametric
formulas: a fast GEnerator for neutrino
telescopes (MUPAGE) . . . . . . . . . . 915--923
Jaromir Tosiek The Fedosov $*$-product in Mathematica 924--930
T. Hahn and
P. Lang FeynEdit --- a tool for drawing Feynman
diagrams . . . . . . . . . . . . . . . . 931--935
Anonymous Editorial Board . . . . . . . . . . . . ??
Hezhu Shao and
Zhongcheng Wang Arbitrarily precise numerical solutions
of the one-dimensional Schrödinger
equation . . . . . . . . . . . . . . . . 1--7
Anonymous SUSY Les Houches Accord 2 . . . . . . . 8--25
N. Cundy and
S. Krieg and
G. Arnold and
A. Frommer and
Th. Lippert and
K. Schilling Numerical methods for the QCD overlap
operator IV: Hybrid Monte Carlo . . . . 26--54
Hong Wei Yang A FDTD analysis on magnetized plasma of
Epstein distribution and reflection
calculation . . . . . . . . . . . . . . 55--60
Cong-Feng Qiao and
Jian Wang and
Jian Xiong Wang and
Yangheng Zheng EtabFDC: An $ \eta b $ event generator
in hadroproduction at LHC . . . . . . . 61--68
Wojciech Broniowski and
Maciej Rybczy\'nski and
Piotr Bozek GLISSANDO: GLauber Initial-State
Simulation AND mOre\ldots . . . . . . . 69--83
S. Wheaton and
J. Cleymans and
M. Hauer THERMUS --- a thermal model package for
ROOT . . . . . . . . . . . . . . . . . . 84--106
James Gray and
Yang-Hui He and
Anton Ilderton and
André Lukas STRINGVACUA. A Mathematica package for
studying vacuum configurations in string
phenomenology . . . . . . . . . . . . . 107--119
G. P. Salam and
J. Rojo A Higher Order Perturbative Parton
Evolution Toolkit (HOPPET) . . . . . . . 120--156
A. Otero-de-la-Roza and
M. A. Blanco and
A. Martín Pendás and
Víctor Luaña Critic: a new program for the
topological analysis of solid-state
electron densities . . . . . . . . . . . 157--166
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . v--vii
Anonymous Editorial Board . . . . . . . . . . . . ??
Z. Kalogiratou and
Th. Monovasilis and
T. E. Simos Computation of the eigenvalues of the
Schrödinger equation by
exponentially-fitted
Runge--Kutta--Nyström methods . . . . . . 167--176
J. G. Jiang and
Y. N. Huang Simulation of distribution of random
walks on a lattice . . . . . . . . . . . 177--179
Nigel Cundy Low-lying Wilson Dirac operator
eigenvector mixing in dynamical overlap
hybrid Monte Carlo . . . . . . . . . . . 180--191
Guang-Hui Cheng and
Ting-Zhu Huang and
Shu-Qian Shen Block triangular preconditioners for the
discretized time-harmonic Maxwell
equations in mixed form . . . . . . . . 192--196
Jean-Paul Brichta and
Aden N. Seaman and
Joseph H. Sanderson Ultrafast imaging of polyatomic
molecules with simplex algorithm . . . . 197--200
Nigel Cundy and
Stefan Krieg and
Thomas Lippert and
Andreas Schäfer Topological tunnelling with dynamical
overlap fermions . . . . . . . . . . . . 201--208
Y. Duan and
P. F. Tang and
T. Z. Huang and
S. J. Lai Coupling projection domain decomposition
method and Kansa's method in
electrostatic problems . . . . . . . . . 209--214
Attilio Cucchieri and
Axel Maas and
Tereza Mendes Linear covariant gauges on the lattice 215--225
D. Portes, Jr. and
H. Rodrigues and
B. Baseia and
S. B. Duarte Computational procedure to determine
quantum state evolution in Fock space 226--230
Byoungseon Jeon and
Niels Grònbech-Jensen Efficient parallel algorithm for
statistical ion track simulations in
crystalline materials . . . . . . . . . 231--237
Armen H. Poghosyan and
Aram A. Shahinyan A new parameter for validation molecular
dynamics simulation (MD) data . . . . . 238--240
V. Ledoux and
M. Van Daele and
G. Vanden Berghe Efficient computation of high index
Sturm--Liouville eigenvalues for
problems in physics . . . . . . . . . . 241--250
Panagiotis Vlachos and
Ioannis G. Karafyllidis Simulation of quantum key expansion
using quantum cellular automata . . . . 251--255
Khatuna Kakhiani and
Kakha Tsereteli and
Paata Tsereteli A program to generate a basis set
adaptive radial quadrature grid for
density functional theory . . . . . . . 256--268
A. Nappi A pitfall in the use of extended
likelihood for fitting fractions of pure
samples in a mixed sample . . . . . . . 269--275
M. Souaille and
H. Loirat and
D. Borgis and
M. P. Gaigeot MDVRY: a polarizable classical molecular
dynamics package for biomolecules . . . 276--301
D. Engel and
M. Klews and
G. Wunner A fast parallel code for calculating
energies and oscillator strengths of
many-electron atoms at neutron star
magnetic field strengths in adiabatic
approximation . . . . . . . . . . . . . 302--311
J. S. Lee and
M. Carena and
J. Ellis and
A. Pilaftsis and
C. E. M. Wagner CPsuperH2.0: An improved computational
tool for Higgs phenomenology in the MSSM
with explicit CP violation . . . . . . . 312--331
J. D. Talman NumSBT: a subroutine for calculating
spherical Bessel transforms numerically 332--338
Anonymous Editorial Board . . . . . . . . . . . . ??
V. A. Kudryavtsev Muon simulation codes MUSIC and MUSUN
for underground physics . . . . . . . . 339--346
Christoph Friedrich and
Arno Schindlmayr and
Stefan Blügel Efficient calculation of the Coulomb
matrix and its expansion around $ k = 0
$ within the FLAPW method . . . . . . . 347--359
Pedro Gonnet and
Jens H. Walther and
Petros Koumoutsakos $ \theta $-SHAKE: An extension to SHAKE
for the explicit treatment of angular
constraints . . . . . . . . . . . . . . 360--364
Takayuki Umeda and
Kentaro Togano and
Tatsuki Ogino Two-dimensional full-electromagnetic
Vlasov code with conservative scheme and
its application to magnetic reconnection 365--374
Chia-Chien Huang Semiconductor nanodevice simulation by
multidomain spectral method with
Chebyshev, prolate spheroidal and
Laguerre basis functions . . . . . . . . 375--383
S. Orlandini and
I. Baccarelli and
F. A. Gianturco Variational calculations of structures
and energetics in very floppy trimers: a
new computational implementation . . . . 384--391
V. A. Dzuba An universal algorithm of calculating
terms of atomic many-body perturbation
theory . . . . . . . . . . . . . . . . . 392--400
Alessandro Ballestrero and
Aissa Belhouari and
Giuseppe Bevilacqua and
Vladimir Kashkan and
Ezio Maina PHANTOM: a Monte Carlo event generator
for six parton final states at high
energy colliders . . . . . . . . . . . . 401--417
J. Brandon Keith and
Jacob R. Fennick and
Chad E. Junkermeier and
Daniel R. Nelson and
James P. Lewis A Web-deployed interface for performing
\em ab initio molecular dynamics,
optimization, and electronic structure
in Fireball . . . . . . . . . . . . . . 418--426
Michele Caffo and
Henryk Czyz and
Michal Gunia and
Ettore Remiddi BOKASUN: a fast and precise numerical
program to calculate the Master
Integrals of the two-loop sunrise
diagrams . . . . . . . . . . . . . . . . 427--430
A. V. Semenov LanHEP --- a package for the automatic
generation of Feynman rules in field
theory. Version 3.0 . . . . . . . . . . 431--454
F. Reinhard and
O. F. Lange and
J. S. Hub and
J. Haas and
H. Grubmüller g\_permute: Permutation-reduced phase
space density compaction . . . . . . . . 455--458
Dimitris Skouteris and
Osvaldo Gervasi and
Antonio Lagan\`a A program for performing exact quantum
dynamics calculations using cylindrical
polar coordinates: a nanotube
application . . . . . . . . . . . . . . 459--465
Zhe Yuan and
Shiwu Gao Linear response approach to collective
electronic excitations of solids and
surfaces . . . . . . . . . . . . . . . . 466--473
Bruno Juliá-Díaz and
Joseph M. Burdis and
Frank Tabakin QDENSITY --- a Mathematica quantum
computer simulation . . . . . . . . . . 474--474
Anonymous Computer Physics Communications --- List
of Editors . . . . . . . . . . . . . . . iii--v
Anonymous Editorial Board . . . . . . . . . . . . ??
T. Wüst and
D. P. Landau and
C. Gervais and
Y. Xu Monte Carlo simulations of systems with
complex energy landscapes . . . . . . . 475--479
Mário J. de Oliveira Glassy states in the stochastic Potts
model . . . . . . . . . . . . . . . . . 480--484
Shan-Ho Tsai and
D. P. Landau Phase diagram of a two-dimensional
large-$Q$ Potts model in an external
field . . . . . . . . . . . . . . . . . 485--487
Ernesto S. Loscar and
Ezequiel V. Albano Hysteretic effects in the first-order
irreversible phase transition of the ZGB
model . . . . . . . . . . . . . . . . . 488--492
B. Berche and
P. Butera and
W. Janke and
L. Shchur Universal ratios of critical amplitudes
in the Potts model universality class 493--496
Marco G. Mazza and
Kevin Stokely and
Elena G. Strekalova and
H. Eugene Stanley and
Giancarlo Franzese Cluster Monte Carlo and numerical mean
field analysis for the water
liquid-liquid phase transition . . . . . 497--502
L. Nduwayo and
R. Lindebaum and
N. Chetty Suppressed bond-site percolation . . . . 503--508
T. E. Booth and
J. E. Gubernatis Sewing algorithm . . . . . . . . . . . . 509--511
T. Tallinen and
J. A. Åström and
J. Timonen Discrete element simulations of
crumpling of thin sheets . . . . . . . . 512--516
J. M. Kumpula and
J.-P. Onnela and
J. Saramäki and
J. Kertész and
K. Kaski Model of community emergence in weighted
social networks . . . . . . . . . . . . 517--522
M. L. Mouronte and
R. M. Benito and
J. P. Cárdenas and
A. Santiago and
V. Feliú and
P. van Wijngaarden and
L. G. Moyano Complexity in Spanish optical fiber and
SDH transport networks . . . . . . . . . 523--526
Gabriel Baglietto and
Ezequiel V. Albano Computer simulations of the collective
displacement of self-propelled agents 527--531
Enrique Burgos and
Horacio Ceva and
Laura Hernández and
R. P. J. Perazzo Understanding and characterizing
nestedness in mutualistic bipartite
networks . . . . . . . . . . . . . . . . 532--535
Tânia Tomé and
Áttila L. Rodrigues and
Everaldo Arashiro and
Mário J. de Oliveira The stochastic nature of predator-prey
cycles . . . . . . . . . . . . . . . . . 536--539
Marcos Rigol and
Rajiv R. P. Singh Thermodynamic properties of quantum
lattice models from numerical linked
cluster expansions . . . . . . . . . . . 540--544
P. Klosiewicz and
J. Broeckhove and
W. Vanroose Using pseudo-arclength continuation to
trace the resonances of the Schrödinger
equation . . . . . . . . . . . . . . . . 545--548
Myoung Won Cho and
Sul-Ah Ahn Efficient and exact computation of
Hubbard and $t$--$J$ models using
quantum diagonalization method . . . . . 549--554
Norbert Attig Computational physics with PetaFlops
computers . . . . . . . . . . . . . . . 555--558
Jamie Shiers Grid today, clouds on the horizon . . . 559--563
G. Krein and
J. M. Machado and
A. O. Pereira Dynamics of the deconfinement transition
of quarks and gluons in a finite volume 564--573
R. L. S. Farias and
Rudnei O. Ramos and
L. A. da Silva Numerical solutions for non-Markovian
stochastic equations of motion . . . . . 574--579
Joan Adler and
Polina Pine Visualization techniques for modelling
carbon allotropes . . . . . . . . . . . 580--582
A. G. Cunha-Netto and
Ronald Dickman and
A. A. Caparica Two-dimensional lattice polymers:
Adaptive windows simulations . . . . . . 583--586
D. T. Seaton and
T. Wüst and
D. P. Landau A Wang--Landau study of the phase
transitions in a flexible homopolymer 587--589
Cláudio José DaSilva and
A. G. Cunha-Netto and
Ronald Dickman and
A. A. Caparica Constructing ground state configurations
of lattice polymers . . . . . . . . . . 590--593
A. G. Bailey and
C. P. Lowe and
A. P. Sutton REVLD: a coarse-grained model for
polymers . . . . . . . . . . . . . . . . 594--599
M. Müller and
C. Pastorino and
J. Servantie Hydrodynamic boundary condition of
polymer melts at simple and complex
surfaces . . . . . . . . . . . . . . . . 600--604
Burkhard Dünweg and
Ulf D. Schiller and
Anthony J. C. Ladd Progress in the understanding of the
fluctuating lattice Boltzmann equation 605--608
Eric J. R. Parteli and
Murilo P. Almeida and
Orencio Durán and
José S. Andrade, Jr. and
Hans J. Herrmann Sand transport on Mars . . . . . . . . . 609--611
A. P. F. Atman and
P. Claudin and
G. Combe Departure from elasticity in granular
layers: Investigation of a crossover
overload force . . . . . . . . . . . . . 612--615
W. F. Oquendo and
J. D. Muñoz and
A. Lizcano Oedometric test, Bauer's law and the
micro-macro connection for a dry sand 616--620
Reinaldo R. Rosa and
Fernando M. Ramos and
Cesar A. Caretta and
Haroldo F. Campos Velho Extreme event dynamics in the formation
of galaxy-sized dark matter structures 621--624
Naoki Yoshida Supercomputer simulations of structure
formation in the Universe . . . . . . . 625--627
Sang Ki Nam and
John P. Verboncoeur Global model for high power microwave
breakdown at high pressure in air . . . 628--635
Seung Min Lee and
Yong Jun Hong and
Young Sik Seo and
Felipe Iza and
Gyoo Cheon Kim and
Jae Koo Lee Simulations of biomedical
atmospheric-pressure discharges . . . . 636--641
T. Kroetz and
F. A. Marcus and
M. Roberto and
I. L. Caldas and
R. L. Viana and
E. C. da Silva Transport control in fusion plasmas by
changing electric and magnetic field
spatial profiles . . . . . . . . . . . . 642--650
Min Sup Hur and
Jonathan S. Wurtele Two-dimensional simulations of the
amplification and focusing of intense
laser pulses in the kinetic regime of
Raman backward amplification in plasmas 651--655
Y. C. Chuang and
J. Y. Hsu Particle-in-cell study of microwave
confined plasma . . . . . . . . . . . . 656--658
J.-Y. Lin and
Y.-H. Tang and
M.-H. Tsai Electronic structures of the Si(001)
thin film under $ \langle 110 \rangle $-
and $ \langle 010 \rangle $-direction
uniaxial tensile strains . . . . . . . . 659--663
Fortunato Silva de Menezes and
Davi Geiger and
Ricardo Martins Abreu e Silva and
George Distler and
Arefin Hu Forward-backward study of the stereo
vision problem . . . . . . . . . . . . . 664--668
Anonymous Editorial Board . . . . . . . . . . . . ??
J. A. Plascak and
A. T. Bernardes CCP2008 --- Modeling a better world . . v--v
Tao Wei and
Shengjing Mu and
Aiichiro Nakano and
Katherine Shing A hybrid multi-loop
genetic-algorithm/simplex/spatial-grid
method for locating the optimum
orientation of an adsorbed protein on a
solid surface . . . . . . . . . . . . . 669--674
S. Jadach and
W. Placzek and
M. Skrzypek and
P. Stephens and
Z. W\kas Constrained MC for QCD evolution with
rapidity ordering and minimum kT . . . . 675--698
Shyamal Bhar and
Soumen Kumar Roy Computer simulation of two continuous
spin models using
Wang--Landau-Transition-Matrix Monte
Carlo algorithm . . . . . . . . . . . . 699--707
A. S. V. Ravi Kanth and
K. Aruna Differential transform method for
solving the linear and nonlinear
Klein--Gordon equation . . . . . . . . . 708--711
J. Ibáñez and
V. Hernández and
E. Arias and
P. A. Ruiz Solving Initial Value Problems for
Ordinary Differential Equations by two
approaches: BDF and piecewise-linearized
methods . . . . . . . . . . . . . . . . 712--723
Sridhar Sahu and
Alok Shukla Fortran 90 implementation of the
Hartree--Fock approach within the CNDO/2
and INDO models . . . . . . . . . . . . 724--734
A. V. Smirnov and
M. N. Tentyukov Feynman Integral Evaluation by a Sector
decomposiTion Approach (FIESTA) . . . . 735--746
G. Bélanger and
F. Boudjema and
A. Pukhov and
A. Semenov Dark matter direct detection rate in a
generic model with micrOMEGAs\_2.2 . . . 747--767
Juan-Luis Domenech-Garret and
Miguel-Angel Sanchis-Lozano QQ-onia package: a numerical solution to
the Schrödinger radial equation for heavy
quarkonium . . . . . . . . . . . . . . . 768--778
I. P. Lokhtin and
L. V. Malinina and
S. V. Petrushanko and
A. M. Snigirev and
I. Arsene and
K. Tywoniuk Heavy ion event generator HYDJET++
(HYDrodynamics plus JETs) . . . . . . . 779--799
A. Otero de la Roza and
Víctor Luaña Runwien: a text-based interface for the
WIEN package . . . . . . . . . . . . . . 800--812
Anonymous Editorial Board . . . . . . . . . . . . ??
Michele Della Morte and
Leonardo Giusti Exploiting symmetries for exponential
error reduction in path integral Monte
Carlo . . . . . . . . . . . . . . . . . 813--818
Michele Della Morte and
Leonardo Giusti Symmetries and exponential error
reduction in Yang--Mills theories on the
lattice . . . . . . . . . . . . . . . . 819--826
Sumie Yamamoto and
Keisuke Fujii and
Akiya Miyamoto A handy tool for history keeping of
Geant4 tracks --- J4HistoryKeeper . . . 827--834
L. Welser-Sherrill and
J. H. Cooley and
D. C. Wilson Interactive tools designed to study mix
in inertial confinement fusion
implosions . . . . . . . . . . . . . . . 835--841
Zhongcheng Wang and
Hezhu Shao A new kind of discretization scheme for
solving a two-dimensional
time-independent Schrödinger equation . . 842--849
C. Timbó and
L. A. R. da Rosa and
M. Gonçalves and
S. B. Duarte Computational cancer cells
identification by fractal dimension
analysis . . . . . . . . . . . . . . . . 850--853
Rong Zeng and
Yanzhi Zhang Efficiently computing vortex lattices in
rapid rotating Bose--Einstein
condensates . . . . . . . . . . . . . . 854--860
Diego Molteni and
Andrea Colagrossi A simple procedure to improve the
pressure evaluation in hydrodynamic
context using the SPH . . . . . . . . . 861--872
Mehdi Dehghan and
Narges Rastegar On the global behavior of a high-order
rational difference equation . . . . . . 873--878
Charlotte Froese Fischer and
Oleg Zatsarinny A B-spline Galerkin method for the Dirac
equation . . . . . . . . . . . . . . . . 879--886
M. V. Umansky and
X. Q. Xu and
B. Dudson and
L. L. LoDestro and
J. R. Myra Status and verification of edge plasma
turbulence code BOUT . . . . . . . . . . 887--903
Kui Fu Chen and
Jing Tao Jiang and
Stephen Crowsen Against the long-range spectral leakage
of the cosine window family . . . . . . 904--911
Adrian Alexandrescu and
Alfonso Bueno-Orovio and
José R. Salgueiro and
Víctor M. Pérez-García Mapped Chebyshev pseudospectral method
for the study of multiple scale
phenomena . . . . . . . . . . . . . . . 912--919
J. Timoshenko and
A. Kuzmin Wavelet data analysis of EXAFS spectra 920--925
S.-L. Chang and
C.-S. Chien Computing multiple peak solutions for
Bose--Einstein condensates in optical
lattices . . . . . . . . . . . . . . . . 926--947
Frank Tabakin and
Bruno Juliá-Díaz QCMPI: a parallel environment for
quantum computing . . . . . . . . . . . 948--964
R. Alkofer and
M. Q. Huber and
K. Schwenzer Algorithmic derivation of
Dyson--Schwinger equations . . . . . . . 965--976
R. Ramis and
J. Meyer-ter-Vehn and
J. Ramírez MULTI2D --- a computer code for
two-dimensional radiation hydrodynamics 977--994
Vladimir Horvat ERCS08: a FORTRAN program equipped with
a Windows graphics user interface that
calculates ECPSSR cross sections for the
removal of atomic electrons . . . . . . 995--1003
Ling Ti Kong and
Guido Bartels and
Carlos Campañá and
Colin Denniston and
Martin H. Müser Implementation of Green's function
molecular dynamics: An extension to
LAMMPS . . . . . . . . . . . . . . . . . 1004--1010
O. Chuluunbaatar and
A. A. Gusev and
V. P. Gerdt and
V. A. Rostovtsev and
S. I. Vinitsky and
A. G. Abrashkevich and
M. S. Kaschiev and
V. V. Serov Erratum to: Program
AEAA\_v1\_0,``POTHMF: a program for
computing potential curves and matrix
elements of the coupled adiabatic radial
equations for a hydrogen-like atom in a
homogeneous magnetic field'' [Comput.
Phys. Commun. \bf 178 (2008) 301] . . . 1011--1011
O. Chuluunbaatar and
A. A. Gusev and
S. I. Vinitsky and
A. G. Abrashkevich Erratum to: Program ADZH\_v2\_0, KANTBP
2.0: New version of a program for
computing energy levels, reaction matrix
and radial wave functions in the
coupled-channel hyperspherical adiabatic
approach'' [Comput. Phys. Commun. \bf
179 (2008) 685] . . . . . . . . . . . . 1012--1012
Anonymous Editorial Board . . . . . . . . . . . . ??
W. Younes Gaussian matrix elements in a
cylindrical harmonic oscillator basis 1013--1040
N. D. M. Hine and
P. D. Haynes and
A. A. Mostofi and
C.-K. Skylaris and
M. C. Payne Linear-scaling density-functional theory
with tens of thousands of atoms:
Expanding the scope and scale of
calculations with ONETEP . . . . . . . . 1041--1053
Jianying Zhang and
Guangwu Yan A lattice Boltzmann model for the
Korteweg--de Vries equation with two
conservation laws . . . . . . . . . . . 1054--1062
Jian Wang Multisymplectic numerical method for the
Zakharov system . . . . . . . . . . . . 1063--1071
T. E. Simos $P$-stability, trigonometric-fitting and
the numerical solution of the radial
Schrödinger equation . . . . . . . . . . 1072--1085
Franck Assous and
Felix Tsipis Numerical paraxial approximation for
highly relativistic beams . . . . . . . 1086--1097
G. A. Nemnes and
K. H. Hoffmann Spin-box algorithm for low temperature
dynamics of short range disordered Ising
spin systems . . . . . . . . . . . . . . 1098--1103
Zhen Wang Discrete $ \tanh $ method for nonlinear
difference-differential equations . . . 1104--1108
Elisa Stevanato and
Roberto Stroili A case study for the handling of data in
a skimming control system . . . . . . . 1109--1115
Om P. Singh and
Rajesh K. Pandey and
Vineet K. Singh An analytic algorithm of Lane--Emden
type equations arising in astrophysics
using modified homotopy analysis method 1116--1124
Miguel A. García-March and
Miguel Arevalillo-Herráez and
Francisco R. Villatoro and
Fernando Giménez and
Pedro Fernández de Córdoba A generalized finite difference method
using Coatm\`elec lattices . . . . . . . 1125--1133
José M. Soler and
Eduardo Anglada Optimal Fourier filtering of a function
that is strictly confined within a
sphere . . . . . . . . . . . . . . . . . 1134--1136
Gui-qiong Xu A note on the Painlevé test for nonlinear
variable-coefficient PDEs . . . . . . . 1137--1144
Kensuke Yokoi A variational approach to multi-phase
motion of gas, liquid and solid based on
the level set method . . . . . . . . . . 1145--1149
M. A. Caprio and
D. J. Rowe and
T. A. Welsh Construction of $ {\rm SO}(5) \supset
{\rm SO}(3) $ spherical harmonics and
Clebsch--Gordan coefficients . . . . . . 1150--1163
S. Vanaverbeke and
R. Keppens and
S. Poedts and
H. Boffin GRADSPH: a parallel smoothed particle
hydrodynamics code for self-gravitating
astrophysical fluid dynamics . . . . . . 1164--1182
M. E. Castro and
A. Niño and
C. Muñoz-Caro Gmat. A software tool for the
computation of the rovibrational $G$
matrix . . . . . . . . . . . . . . . . . 1183--1187
Kei Moritsugu and
Jeremy C. Smith REACH: a program for coarse-grained
biomolecular simulation . . . . . . . . 1188--1195
Min Gao and
Masaaki Ito A Maple package for verifying
ultradiscrete soliton solutions . . . . 1196--1205
O. Shekhovtsova and
G. Venanzoni and
G. Pancheri FASTERD: a Monte Carlo event generator
for the study of final state radiation
in the process $ e^+ e^- \to \pi \pi
\gamma $ at DA$ \Phi $NE . . . . . . . . 1206--1218
Andrzej Daniluk Multithreaded transactions in scientific
computing. The Growth06\_v2 program . . 1219--1220
Anonymous Editorial Board . . . . . . . . . . . . ??
Tirath Ramdas and
Gregory K. Egan and
David Abramson and
Kim K. Baldridge ERI sorting for emerging processor
architectures . . . . . . . . . . . . . 1221--1229
M. M. Becker and
D. Loffhagen and
W. Schmidt A stabilized finite element method for
modeling of gas discharges . . . . . . . 1230--1241
Otmar Ertl and
Siegfried Selberherr A fast level set framework for large
three-dimensional topography simulations 1242--1250
Yongzhi Chen and
Yuefan Deng A detailed analysis of communication
load balance on BlueGene supercomputer 1251--1258
Jee-Gong Chang and
Yu-Bin Fang and
Shin-Pon Ju Using a generalized molecular dynamics
force model for random microstructure
generation of different aspect-ratios
and orientation for use in the optical
design of an LED edge-lit backlight . . 1259--1270
Rok Zitko Adaptive logarithmic discretization for
numerical renormalization group methods 1271--1276
X. Ferrieres and
G. Klysz and
P. Mazet and
J. P. Balayssac Evaluation of the concrete
electromagnetics properties by using
radar measurements in a context of
building sustainability . . . . . . . . 1277--1281
N. Aiba and
S. Tokuda and
M. Furukawa and
P. B. Snyder and
M. S. Chu MINERVA: Ideal MHD stability code for
toroidally rotating tokamak plasmas . . 1282--1304
Hong-Yu Wang and
Wei Jiang and
You-Nian Wang Parallelization and optimization of
electrostatic
Particle-in-Cell/Monte-Carlo coupled
codes as applied to RF discharges . . . 1305--1314
Dhiranjan Roy Global approximation for some functions 1315--1337
Stephan Dürr Logarithmic link smearing for full QCD 1338--1357
O. Chuluunbaatar and
A. A. Gusev and
S. I. Vinitsky and
A. G. Abrashkevich ODPEVP: a program for computing
eigenvalues and eigenfunctions and their
first derivatives with respect to the
parameter of the parametric
self-adjoined Sturm--Liouville problem 1358--1375
Rajan K. Chakrabarty and
Mark A. Garro and
Shammah Chancellor and
Christopher Herald and
Hans Moosmüller FracMAP: a user-interactive package for
performing simulation and
orientation-specific morphology analysis
of fractal-like solid nano-agglomerates 1376--1381
Chuanfu Luo and
Jens-Uwe Sommer Coding coarse grained polymer model for
LAMMPS and its application to polymer
crystallization . . . . . . . . . . . . 1382--1391
Andrea Marini and
Conor Hogan and
Myrta Grüning and
Daniele Varsano yambo: An \em ab initio tool for excited
state calculations . . . . . . . . . . . 1392--1403
C. Voglis and
P. E. Hadjidoukas and
I. E. Lagaris and
D. G. Papageorgiou A numerical differentiation library
exploiting parallel architectures . . . 1404--1415
Layla Martin-Samos and
Giovanni Bussi SaX: An open source package for
electronic-structure and
optical-properties calculations in the
GW approximation . . . . . . . . . . . . 1416--1425
T. Hahn and
S. Heinemeyer and
W. Hollik and
H. Rzehak and
G. Weiglein FeynHiggs: a program for the calculation
of MSSM Higgs-boson observables ---
Version 2.6.5 . . . . . . . . . . . . . 1426--1427
Anonymous Editorial Board . . . . . . . . . . . . ??
Songxin Liang and
David J. Jeffrey New travelling wave solutions to
modified CH and DP equations . . . . . . 1429--1433
Carlos E. Fiore and
Mário J. de Oliveira Extending the use of canonical and
microcanonical Monte Carlo algorithms to
spin models . . . . . . . . . . . . . . 1434--1441
Luca Argenti and
Renato Colle On the B-splines effective completeness 1442--1447
T. Levitina and
E. J. Brändas Filter diagonalization: Filtering and
postprocessing with prolates . . . . . . 1448--1457
Mehdi Dehghan and
Davoud Mirzaei Meshless local boundary integral
equation (LBIE) method for the unsteady
magnetohydrodynamic (MHD) flow in
rectangular and circular pipes . . . . . 1458--1466
B. D. Dudson and
M. V. Umansky and
X. Q. Xu and
P. B. Snyder and
H. R. Wilson BOUT++: a framework for parallel plasma
fluid simulations . . . . . . . . . . . 1467--1480
Huanmin Yao Solution of the Duffing equation
involving both integral and non-integral
forcing terms . . . . . . . . . . . . . 1481--1488
Kunio Ishida and
Keiichiro Nasu Numerical simulation on the dynamics of
photoinduced cooperative phenomena in
molecular crystals . . . . . . . . . . . 1489--1494
M. Bernaschi and
S. Melchionna and
S. Succi and
M. Fyta and
E. Kaxiras and
J. K. Sircar MUPHY: a parallel MUlti PHYsics/scale
code for high performance bio-fluidic
simulations . . . . . . . . . . . . . . 1495--1502
James E. Magee and
Helen Dutton and
Flor R. Siperstein CaSPA --- an algorithm for calculation
of the size of percolating aggregates 1503--1510
Hua Yang and
Yuchao Nie and
Hongbin Zhang and
Zengru Di and
Ying Fan Insight to the express transport network 1511--1515
Alper Korkmaz and
Idris Dag Solitary wave simulations of Complex
Modified Korteweg--de Vries Equation
using differential quadrature method . . 1516--1523
W. A. Cooper and
S. P. Hirshman and
P. Merkel and
J. P. Graves and
J. Kisslinger and
H. F. G. Wobig and
Y. Narushima and
S. Okamura and
K. Y. Watanabe Three-dimensional anisotropic pressure
free boundary equilibria . . . . . . . . 1524--1533
Nobuaki Ohno and
Akira Kageyama Visualization of spherical data by
Yin--Yang grid . . . . . . . . . . . . . 1534--1538
M. M. Rashidi and
E. Erfani New analytical method for solving
Burgers' and nonlinear heat transfer
equations and comparison with HAM . . . 1539--1544
Xinyuan Wu and
Xiong You and
Jiyong Li Note on derivation of order conditions
for ARKN methods for perturbed
oscillators . . . . . . . . . . . . . . 1545--1549
Manabu Yagi and
Kanako Seki and
Yosuke Matsumoto Development of a magnetohydrodynamic
simulation code satisfying the
solenoidal magnetic field condition . . 1550--1557
Michael Weyrauch and
Daniel Scholz Computing the Baker--Campbell--Hausdorff
series and the Zassenhaus product . . . 1558--1565
Qingjie Zhao and
Baojun Zhang and
Huosheng Hu Novel two-step filtering scheme for a
logging-while-drilling system . . . . . 1566--1571
G. Alvarez The density matrix renormalization group
for strongly correlated electron
systems: a generic implementation . . . 1572--1578
F. Mahmoudi SuperIso v2.3: a program for calculating
flavor physics observables in
supersymmetry . . . . . . . . . . . . . 1579--1613
Neil D. Christensen and
Claude Duhr FeynRules --- Feynman rules made easy 1614--1641
Boris Tomásik DRAGON: Monte Carlo generator of
particle production from a fragmented
fireball in ultrarelativistic nuclear
collisions . . . . . . . . . . . . . . . 1642--1653
Rafael López and
Jaime Fernández Rico and
Guillermo Ramírez and
Ignacio Ema and
David Zorrilla DAMQT: a package for the analysis of
electron density in molecules . . . . . 1654--1660
K. Arnold and
M. Bähr and
G. Bozzi and
F. Campanario and
C. Englert and
T. Figy and
N. Greiner and
C. Hackstein and
V. Hankele and
B. Jäger and
G. Klämke and
M. Kubocz and
C. Oleari and
S. Plätzer and
S. Prestel and
M. Worek and
D. Zeppenfeld Vbfnlo: a parton level Monte Carlo for
processes with electroweak bosons . . . 1661--1670
Karol Kolodziej carlomat: a program for automatic
computation of lowest order cross
sections . . . . . . . . . . . . . . . . 1671--1680
T. Hahn SUSY Les Houches Accord 2 I/O made easy 1681--1693
Elsayed K. Elmaghraby PHASE-OTI: a pre-equilibrium model code
for nuclear reactions calculations . . . 1694--1699
S. A. Chin and
S. Janecek and
E. Krotscheck An arbitrary order diffusion algorithm
for solving Schrödinger equations . . . . 1700--1708
D. Binosi and
J. Collins and
C. Kaufhold and
L. Theussl JaxoDraw: a graphical user interface for
drawing Feynman diagrams. Version 2.0
release notes . . . . . . . . . . . . . 1709--1715
Sam J. Cipolla ISICS2008: An expanded version of ISICS
for calculating K-, L-, and M-shell
cross sections from PWBA and ECPSSR
theory . . . . . . . . . . . . . . . . . 1716--1717
F. Mahmoudi SuperIso v3.0, flavor physics
observables calculations: extension to
NMSSM . . . . . . . . . . . . . . . . . 1718--1719
Anonymous Editorial Board . . . . . . . . . . . . ??
Kartika Chandra Sahoo and
Yiming Li and
Edward Yi Chang Numerical calculation of the reflectance
of sub-wavelength structures on silicon
nitride for solar cell application . . . 1721--1729
Nicolas Crouseilles and
Thomas Respaud and
Eric Sonnendrücker A forward semi-Lagrangian method for the
numerical solution of the Vlasov
equation . . . . . . . . . . . . . . . . 1730--1745
Özgür Ergül and
Levent Gürel Discretization error due to the identity
operator in surface integral equations 1746--1752
W. F. Perger and
J. Criswell and
B. Civalleri and
R. Dovesi Ab-initio calculation of elastic
constants of crystalline systems with
the CRYSTAL code . . . . . . . . . . . . 1753--1759
G. B. Jacobs and
J. S. Hesthaven Implicit-explicit time integration of a
high-order particle-in-cell method with
hyperbolic divergence cleaning . . . . . 1760--1767
D. G. Pretty and
B. D. Blackwell A data mining algorithm for automated
characterisation of fluctuations in
multichannel timeseries . . . . . . . . 1768--1776
Hongli Yang and
Xinyuan Wu and
Xiong You and
Yonglei Fang Extended RKN-type methods for numerical
integration of perturbed oscillators . . 1777--1794
Xiaojun Tong and
Zhu Wang and
Haining Yu A research using hybrid RBF/Elman neural
networks for intrusion detection system
secure model . . . . . . . . . . . . . . 1795--1801
J. Martín-Vaquero and
B. Janssen Second-order stabilized explicit
Runge--Kutta methods for stiff problems 1802--1810
J. J. Monaghan and
J. B. Kajtar SPH particle boundary forces for
arbitrary boundaries . . . . . . . . . . 1811--1820
Jiaxiang Cai Multisymplectic numerical method for the
regularized long-wave equation . . . . . 1821--1831
E. De Lauro and
S. De Martino and
M. Falanga and
L. Gr. Ixaru Limit cycles in nonlinear excitation of
clusters of classical oscillators . . . 1832--1838
D. F. Papadopoulos and
Z. A. Anastassi and
T. E. Simos A phase-fitted Runge--Kutta--Nyström
method for the numerical solution of
initial value problems with oscillating
solutions . . . . . . . . . . . . . . . 1839--1846
M. Williams Numerical object oriented quantum field
theory calculations . . . . . . . . . . 1847--1852
Ting-Zhu Huang and
Li-Tao Zhang and
Tong-Xiang Gu and
Xian-Yu Zuo New block triangular preconditioner for
linear systems arising from the
discretized time-harmonic Maxwell
equations . . . . . . . . . . . . . . . 1853--1859
D. Laveder and
D. Borgogno and
T. Passot and
P. L. Sulem On a semi-implicit scheme for spectral
simulations of dispersive
magnetohydrodynamics . . . . . . . . . . 1860--1869
Noriyuki Tanabe and
Yasuyuki Ichihashi and
Hirotaka Nakayama and
Nobuyuki Masuda and
Tomoyoshi Ito Speed-up of hologram generation using
ClearSpeed Accelerator board . . . . . . 1870--1873
Alexandre M. Tartakovsky and
Kim F. Ferris and
Paul Meakin Lagrangian particle model for multiphase
flows . . . . . . . . . . . . . . . . . 1874--1881
B. J. Jackin and
P. K. Palanisamy A completely open source based computing
system for computer generation of
Fourier holograms . . . . . . . . . . . 1882--1887
P. Muruganandam and
S. K. Adhikari Fortran programs for the time-dependent
Gross--Pitaevskii equation in a fully
anisotropic trap . . . . . . . . . . . . 1888--1912
Miroslav Morhác and
Vladislav Matousek Library of sophisticated functions for
analysis of nuclear spectra . . . . . . 1913--1940
Alessandro Cafarella and
Costas G. Papadopoulos and
Ma\lgorzata Worek Helac--Phegas: a generator for all
parton level processes . . . . . . . . . 1941--1955
P. Domínguez-García and
M. A. Rubio JChainsAnalyser: an ImageJ-based
stand-alone application for the study of
magneto-rheological fluids . . . . . . . 1956--1960
Massimiliano Bonomi and
Davide Branduardi and
Giovanni Bussi and
Carlo Camilloni and
Davide Provasi and
Paolo Raiteri and
Davide Donadio and
Fabrizio Marinelli and
Fabio Pietrucci and
Ricardo A. Broglia and
Michele Parrinello PLUMED: a portable plugin for
free-energy calculations with molecular
dynamics . . . . . . . . . . . . . . . . 1961--1972
William J. Brouwer and
Michael C. Davis and
Karl T. Mueller Optimized multiple quantum MAS lineshape
simulations in solid state NMR . . . . . 1973--1982
Paul Martinsen and
Johannes Blaschke and
Rainer Künnemeyer and
Robert Jordan Accelerating Monte Carlo simulations
with an NVIDIA $^\reg {}$ graphics
processor . . . . . . . . . . . . . . . 1983--1989
Panagiotis Vlachos and
Ioannis G. Karafyllidis Quantum game simulator, using the
circuit model of quantum computation . . 1990--1998
I. V. Grossu and
C. Besliu and
M. V. Rusu and
Al. Jipa and
C. C. Bordeianu and
D. Felea Visual tool for estimating the fractal
dimension of images . . . . . . . . . . 1999--2001
Sergei Manzhos and
Koichi Yamashita and
Tucker Carrington, Jr. Fitting sparse multidimensional data
with low-dimensional terms . . . . . . . 2002--2012
Evgeni S. Penev and
Sotiria Lampoudi and
Joan-Emma Shea TiReX: Replica-exchange molecular
dynamics using Tinker . . . . . . . . . 2013--2019
Hoang-Binh Dy A program to compute exact hydrogenic
radial integrals and Einstein
coefficients . . . . . . . . . . . . . . 2020--2020
S. Fritzsche Maple procedures for the coupling of
angular momenta. An up-date of the Racah
module . . . . . . . . . . . . . . . . . 2021--2023
T. D. Pointon Erratum to ``Second-order, exact charge
conservation for electromagnetic
particle-in-cell simulation in complex
geometry'' [Comput. Phys. Commun. \bf
179 (2008) 535--544] . . . . . . . . . . 2024--2024
Anonymous Editorial Board . . . . . . . . . . . . ??
J. Suarez and
S. C. Farantos and
S. Stamatiadis and
L. Lathouwers A method for solving the molecular
Schrödinger equation in Cartesian
coordinates via angular momentum
projection operators . . . . . . . . . . 2025--2033
Songxin Liang and
David J. Jeffrey An efficient analytical approach for
solving fourth order boundary value
problems . . . . . . . . . . . . . . . . 2034--2040
Oleg Zatsarinny and
Charlotte Froese Fischer Atomic structure calculations using MCHF
and BSR . . . . . . . . . . . . . . . . 2041--2065
R. Yokota and
T. Narumi and
R. Sakamaki and
S. Kameoka and
S. Obi and
K. Yasuoka Fast multipole methods on a cluster of
GPUs for the meshless simulation of
turbulence . . . . . . . . . . . . . . . 2066--2078
Dong Xu and
Jernej Stare and
Andrew L. Cooksy Solving the vibrational Schrödinger
equation on an arbitrary
multidimensional potential energy
surface by the finite element method . . 2079--2094
Lukas Osterloh and
Carlos Pérez and
David Böhme and
José Maria Baldasano and
Christine Böckmann and
Lars Schneidenbach and
David Vicente Parallel software for retrieval of
aerosol distribution from LIDAR data in
the framework of EARLINET--ASOS . . . . 2095--2102
Javier Ibáñez and
Vicente Hernández Solving Differential Matrix Riccati
Equations by a piecewise-linearized
method based on the conmutant equation 2103--2114
S. Srinivas and
R. Gayathri and
M. Kothandapani The influence of slip conditions, wall
properties and heat transfer on MHD
peristaltic transport . . . . . . . . . 2115--2122
Yin-Long Zhao and
Yin-Ping Liu and
Zhi-Bin Li A modified WTC algorithm for the Painlevé
test of nonlinear variable-coefficient
PDEs . . . . . . . . . . . . . . . . . . 2123--2128
German Urbina-Villalba and
Aileen Lozsán and
Kareem Rahn and
Manuel S. Romero-Cano Calculation of the stability ratio of
suspensions using Emulsion Stability
Simulations . . . . . . . . . . . . . . 2129--2139
Anthony J. C. Ladd A fast random number generator for
stochastic simulations . . . . . . . . . 2140--2142
Johannes Blümlein and
Manuel Kauers and
Sebastian Klein and
Carsten Schneider Determining the closed forms of the $
O(\alpha_s^3) $ anomalous dimensions and
Wilson coefficients from Mellin moments
by means of computer algebra . . . . . . 2143--2165
Edoardo Milotti and
Alessio Del Fabbro and
Roberto Chignola Numerical integration methods for
large-scale biophysical simulations . . 2166--2174
Volker Blum and
Ralf Gehrke and
Felix Hanke and
Paula Havu and
Ville Havu and
Xinguo Ren and
Karsten Reuter and
Matthias Scheffler \em Ab initio molecular simulations with
numeric atom-centered orbitals . . . . . 2175--2196
Allen Caldwell and
Daniel Kollár and
Kevin Kröninger BAT --- The Bayesian analysis toolkit 2197--2209
M. M. Rashidi The modified differential transform
method for solving MHD boundary-layer
equations . . . . . . . . . . . . . . . 2210--2217
Johannes Blümlein Structural relations of harmonic sums
and Mellin transforms up to weight $ w =
5 $ . . . . . . . . . . . . . . . . . . 2218--2249
Xinyuan Wu and
Xiong You and
Jianlin Xia Order conditions for ARKN methods
solving oscillatory systems . . . . . . 2250--2257
Dao Thi Nhung and
Le Duc Ninh D0C: a code to calculate scalar one-loop
four-point integrals with complex masses 2258--2267
Z.-C. Li and
C.-S. Chien and
H.-T. Huang and
B.-W. Jeng Superconvergence of bi-$k$-Lagrange
elements for eigenvalue problems . . . . 2268--2282
Tobias F. Illenseer and
Wolfgang J. Duschl Two-dimensional central-upwind schemes
for curvilinear grids and application to
gas dynamics with angular momentum . . . 2283--2302
Anonymous Ganga: a tool for computational-task
management and easy access to Grid
resources . . . . . . . . . . . . . . . 2303--2316
T. Binoth and
J.-Ph. Guillet and
G. Heinrich and
E. Pilon and
T. Reiter \tt golem95: a numerical program to
calculate one-loop tensor integrals with
up to six external legs . . . . . . . . 2317--2330
Jingfang Huang and
Jun Jia and
Bo Zhang FMM--Yukawa: An adaptive fast multipole
method for screened Coulomb interactions 2331--2338
Alexei Bazavov and
Bernd A. Berg Program package for multicanonical
simulations of $ {\rm U}(1) $ lattice
gauge theory . . . . . . . . . . . . . . 2339--2347
O. Peña and
U. Pal Scattering of electromagnetic radiation
by a multilayered sphere . . . . . . . . 2348--2354
Thomas Müller and
Frank Grave Motion4D --- a library for lightrays and
timelike worldlines in the Theory of
Relativity . . . . . . . . . . . . . . . 2355--2360
J. Dobaczewski and
W. Satula and
B. G. Carlsson and
J. Engel and
P. Olbratowski and
P. Powalowski and
M. Sadziak and
J. Sarich and
N. Schunck and
A. Staszczak and
M. Stoitsov and
M. Zalewski and
H. Zdu\'nczuk Solution of the
Skyrme--Hartree--Fock--Bogolyubov
equations in the Cartesian deformed
harmonic-oscillator basis.: (VI) hfodd
(v2.40h): a new version of the program 2361--2391
S. Nath TERS v2.0: An improved version of TERS 2392--2393
Andrzej Daniluk Model-Driven Development for scientific
computing. An upgrade of the RHEEDGr
program . . . . . . . . . . . . . . . . 2394--2397
C. C. Bordeianu and
D. Felea and
C. Besliu and
Al. Jipa and
I. V. Grossu A new version of Scilab software package
for the study of dynamical systems . . . 2398--2399
Anonymous Editorial Board . . . . . . . . . . . . ??
Xiaoxu Guan and
C. J. Noble and
O. Zatsarinny and
K. Bartschat and
B. I. Schneider ALTDSE: An Arnoldi--Lanczos program to
solve the time-dependent Schrödinger
equation . . . . . . . . . . . . . . . . 2401--2409
M. Plummer and
E. A. G. Armour and
A. C. Todd and
C. P. Franklin and
J. N. Cooper `tt `tripleint\_cc': a program for
$2$-centre variational leptonic Coulomb
potential matrix elements using
Hylleraas-type trial functions, with a
performance optimization study . . . . . 2410--2423
N. S. Scott and
M. P. Scott and
P. G. Burke and
T. Stitt and
V. Faro-Maza and
C. Denis and
A. Maniopoulou 2DRMP: a suite of two-dimensional
$R$-matrix propagation codes . . . . . . 2424--2449
V. M. Burke and
C. J. Noble and
V. Faro-Maza and
A. Maniopoulou and
N. S. Scott FARM\_2DRMP: a version of FARM for use
with 2DRMP . . . . . . . . . . . . . . . 2450--2451
Joe Pitt-Francis and
Pras Pathmanathan and
Miguel O. Bernabeu and
Rafel Bordas and
Jonathan Cooper and
Alexander G. Fletcher and
Gary R. Mirams and
Philip Murray and
James M. Osborne and
Alex Walter and
S. Jon Chapman and
Alan Garny and
Ingeborg M. M. van Leeuwen and
Philip K. Maini and
Blanca Rodríguez and
Sarah L. Waters and
Jonathan P. Whiteley and
Helen M. Byrne and
David J. Gavaghan Chaste: a test-driven approach to
software development for biological
modelling . . . . . . . . . . . . . . . 2452--2471
I. Legrand and
H. Newman and
R. Voicu and
C. Cirstoiu and
C. Grigoras and
C. Dobre and
A. Muraru and
A. Costan and
M. Dediu and
C. Stratan MonALISA: An agent based, dynamic
service system to monitor, control and
optimize distributed systems . . . . . . 2472--2498
Anonymous ROOT --- a C++ framework for petabyte
data storage, statistical analysis and
visualization . . . . . . . . . . . . . 2499--2512
S. J. Zasada and
P. V. Coveney Virtualizing access to scientific
applications with the Application
Hosting Environment . . . . . . . . . . 2513--2525
Marc Baboulin and
Alfredo Buttari and
Jack Dongarra and
Jakub Kurzak and
Julie Langou and
Julien Langou and
Piotr Luszczek and
Stanimire Tomov Accelerating scientific computations
with mixed precision algorithms . . . . 2526--2533
Danny van Dyk and
Markus Geveler and
Sven Mallach and
Dirk Ribbrock and
Dominik Göddeke and
Carsten Gutwenger HONEI: a collection of libraries for
numerical computations targeting
multiple processor architectures . . . . 2534--2543
N. Sanna and
I. Baccarelli and
G. Morelli SCELib3.0: The new revision of SCELib,
the parallel computational library of
molecular properties in the Single
Center Approach . . . . . . . . . . . . 2544--2549
N. Sanna and
I. Baccarelli and
G. Morelli The VOLSCAT package for electron and
positron scattering of molecular
targets: a new high throughput approach
to cross-section and resonances
computation . . . . . . . . . . . . . . 2550--2562
Akila Gothandaraman and
Gregory D. Peterson and
G. Lee Warren and
Robert J. Hinde and
Robert J. Harrison A Hardware-Accelerated Quantum Monte
Carlo framework (HAQMC) for $N$-body
systems . . . . . . . . . . . . . . . . 2563--2573
JunKyu Lee and
Yu Bi and
Gregory D. Peterson and
Robert J. Hinde and
Robert J. Harrison HASPRNG: Hardware Accelerated Scalable
Parallel Random Number Generators . . . 2574--2581
Anonymous ABINIT: First-principles approach to
material and nanosystem properties . . . 2582--2615
S. D. Kenny and
A. P. Horsfield Plato: a localised orbital based density
functional theory code . . . . . . . . . 2616--2621
Dario Alf\`e PHON: a program to calculate phonons
using the small displacement method . . 2622--2633
Y. C. Lee and
H. M. Thompson and
P. H. Gaskell FILMPAR: a parallel algorithm designed
for the efficient and accurate
computation of thin film flow on
functional surfaces containing
micro-structure . . . . . . . . . . . . 2634--2649
A. G. Peeters and
Y. Camenen and
F. J. Casson and
W. A. Hornsby and
A. P. Snodin and
D. Strintzi and
G. Szepesi The nonlinear gyro-kinetic flux tube
code GKW . . . . . . . . . . . . . . . . 2650--2672
Manhui Wang and
Andrew J. May and
Peter J. Knowles Parallel programming interface for
distributed data . . . . . . . . . . . . 2673--2679
Mirco Zerbetto and
Antonino Polimeno and
Vincenzo Barone Simulation of electron spin resonance
spectroscopy in diverse environments: An
integrated approach . . . . . . . . . . 2680--2697
A. Hart and
G. M. von Hippel and
R. R. Horgan and
E. H. Müller Automated generation of lattice QCD
Feynman rules . . . . . . . . . . . . . 2698--2716
Karl Jansen and
Carsten Urbach tmLQCD: a program suite to simulate
Wilson twisted mass lattice QCD . . . . 2717--2738
Peter A. Boyle The BAGEL assembler generation library 2739--2748
Anonymous Contents . . . . . . . . . . . . . . . . ix--x
Anonymous Computer Physics Communications . . . . ??
Anonymous Editorial Board . . . . . . . . . . . . ??
Anonymous Figure captions . . . . . . . . . . . . iv--iv
Phil Burke and
Val Burke Establishment of CPC and the Program
Library . . . . . . . . . . . . . . . . vii--viii
N. Stanley Scott Foreword . . . . . . . . . . . . . . . . v--v
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
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
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 . . . . . . . . . . . . ??
M. M. Rashidi Corrigendum to ``The modified
differential transform method for
solving MHD boundary-layer equations''
[Comput. Phys. Comm. \bf 180 (2009)
2210--2217] . . . . . . . . . . . . . . 285
Arash A. Mostofi and
Chris-Kriton Skylaris and
Peter D. Haynes and
Mike C. Payne Corrigendum to ``Total-energy
calculations on a real space grid with
localised functions and a plane-wave
basis'' [Comput. Phys. Comm. \bf 147/3
(2002) 788--802] . . . . . . . . . . . . Article 107232