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Volume 31, Number 1, January, 1984K. 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 . . . . . . . . . . . .