Table of contents for issues of Computer Physics Communications

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Volume 31, Number 1, January, 1984
Volume 36, Number 4, June, 1985
Volume 47, Number 2--3, November / December, 1987
Volume 116, Number 2--3, February, 1999
Volume 124, Number 1, January 15, 2000
Volume 124, Number 2--3, February, 2000
Volume 125, Number 1--3, March, 2000
Volume 126, Number 1--2, April, 2000
Volume 126, Number 3, April 11, 2000
Volume 127, Number 1, May 1, 2000
Volume 127, Number 2--3, May 10, 2000
Volume 128, Number 1--2, June 9, 2000
Volume 128, Number 3, June, 2000
Volume 129, Number 1--3, July, 2000
Volume 130, Number 1--2, July, 2000
Volume 130, Number 3, August 15, 2000
Volume 131, Number 1--2, September 1, 2000
Volume 131, Number 3, September 15, 2000
Volume 132, Number 1--2, October 15, 2000
Volume 132, Number 3, November 1, 2000
Volume 133, Number 1, December 1, 2000
Volume 133, Number 2--3, January 15, 2001
Volume 134, Number 1, February 1, 2001
Volume 134, Number 2, February 15, 2001
Volume 134, Number 3, March 1, 2001
Volume 135, Number 1, March 15, 2001
Volume 135, Number 2, April 1, 2001
Volume 135, Number 3, April 15, 2001
Volume 136, Number 1--2, May 1, 2001
Volume 136, Number 3, May 15, 2001
Volume 137, Number 1, June 1, 2001
Volume 137, Number 2, June 15, 2001
Volume 137, Number 3, July 1, 2001
Volume 138, Number 1, July 15, 2001
Volume 138, Number 2, August 1, 2001
Volume 138, Number 3, August 15, 2001
Volume 139, Number 1, September 1, 2001
Volume 139, Number 2, September 15, 2001
Volume 139, Number 3, October 1, 2001
Volume 140, Number 1--2, October 15, 2001
Volume 140, Number 3, November 1, 2001
Volume 141, Number 1, November 15, 2001
Volume 141, Number 2, November 30, 2001
Volume 141, Number 3, December 1, 2001
Volume 142, Number 1--3, December 15, 2001
Volume 143, Number 1, February 1, 2002
Volume 143, Number 2, February 15, 2002
Volume 143, Number 3, March 1, 2002
Volume 144, Number 1, March 15, 2002
Volume 144, Number 2, April 1, 2002
Volume 144, Number 3, April 15, 2002
Volume 145, Number 1, May 1, 2002
Volume 145, Number 2, May 15, 2002
Volume 145, Number 3, June 1, 2002
Volume 146, Number 1, June 15, 2002
Volume 146, Number 2, July 1, 2002
Volume 146, Number 3, July 15, 2002
Volume 147, Number 1--2, August 1, 2002
Volume 147, Number 3, September 1, 2002
Volume 148, Number 1, October 1, 2002
Volume 148, Number 2, October 15, 2002
Volume 148, Number 3, November 1, 2002
Volume 149, Number 1, November 15, 2002
Volume 149, Number 2, December 1, 2002
Volume 149, Number 3, January, 2003
Volume 150, Number 1, January 15, 2003
Volume 150, Number 2, February 1, 2003
Volume 150, Number 3, February 15, 2003
Volume 151, Number 1, March 1, 2003
Volume 151, Number 2, March 15, 2003
Volume 151, Number 3, April 1, 2003
Volume 152, Number 1, April 15, 2003
Volume 152, Number 2, May 1, 2003
Volume 152, Number 3, May 15, 2003
Volume 153, Number 1, June 1, 2003
Volume 153, Number 2, June 15, 2003
Volume 153, Number 3, July 1, 2003
Volume 154, Number 1, July 15, 2003
Volume 154, Number 2, August 1, 2003
Volume 154, Number 3, August 15, 2003
Volume 155, Number 1, September 1--15, 2003
Volume 155, Number 2, October, 2003
Volume 155, Number 3, November 1--15, 2003
Volume 156, Number 1, December 1--15, 2003
Volume 156, Number 2, January 1, 2004
Volume 156, Number 3, January 15, 2004
Volume 157, Number 1, February 1, 2004
Volume 157, Number 2, February 15, 2004
Volume 157, Number 3, March 1, 2004
Volume 158, Number 1, March 15, 2004
Volume 158, Number 2, April 1, 2004
Volume 158, Number 3, April 15, 2004
Volume 159, Number 1, May 1, 2004
Volume 159, Number 2, May 15, 2004
Volume 159, Number 3, June 1, 2004
Volume 160, Number 1, June 15, 2004
Volume 160, Number 2, July 1, 2004
Volume 160, Number 3, July 15, 2004
Volume 161, Number 1--2, August 1, 2004
Volume 161, Number 3, August 15, 2004
Volume 162, Number 1, September 1, 2004
Volume 162, Number 2, September 15, 2004
Volume 162, Number 3, October 1, 2004
Volume 163, Number 1, October 15, 2004
Volume 163, Number 2, November 1, 2004
Volume 163, Number 3, November 15, 2004
Volume 164, Number 1--3, December 1--15, 2004
Volume 165, Number 1, January 1, 2005
Volume 165, Number 2, January 15, 2005
Volume 165, Number 3, February 1, 2005
Volume 166, Number 1, February 15, 2005
Volume 166, Number 2, March 1, 2005
Volume 166, Number 3, March 15, 2005
Volume 167, Number 1, April 1, 2005
Volume 167, Number 2, April 15, 2005
Volume 167, Number 3, May 1, 2005
Volume 168, Number 1, May 15, 2005
Volume 168, Number 2, June 1, 2005
Volume 168, Number 3, June 15, 2005
Volume 169, Number 1--3, July 1, 2005
Volume 170, Number 1, July 15, 2005
Volume 170, Number 2, August 1, 2005
Volume 170, Number 3, August 15, 2005
Volume 171, Number 1, September 1, 2005
Volume 171, Number 2, September 15, 2005
Volume 171, Number 3, October 1, 2005
Volume 172, Number 1, October 15, 2005
Volume 172, Number 2, November 1, 2005
Volume 172, Number 3, November 15, 2005
Volume 173, Number 1--2, December 1, 2005
Volume 173, Number 3, December 15, 2005
Volume 174, Number 1, January 1, 2006
Volume 174, Number 2, January 15, 2006
Volume 174, Number 3, February 1, 2006
Volume 174, Number 4, February 15, 2006
Volume 174, Number 5, March 1, 2006
Volume 174, Number 6, March 15, 2006
Volume 174, Number 7, April 1, 2006
Volume 174, Number 8, April 15, 2006
Volume 174, Number 9, May 1, 2006
Volume 174, Number 10, May 15, 2006
Volume 174, Number 11, June 1, 2006
Volume 174, Number 12, June 15, 2006
Volume 175, Number 1, July 1, 2006
Volume 175, Number 2, July 15, 2006
Volume 175, Number 3, August 1, 2006
Volume 175, Number 4, August 15, 2006
Volume 175, Number 5, September 1, 2006
Volume 175, Number 6, September 15, 2006
Volume 175, Number 7, October 1, 2006
Volume 175, Number 8, October 15, 2006
Volume 175, Number 9, November 1, 2006
Volume 175, Number 10, November 15, 2006
Volume 175, Number 11--12, December 1--15, 2006
Volume 176, Number 1, January 1, 2007
Volume 176, Number 2, January 15, 2007
Volume 176, Number 3, February 1, 2007
Volume 176, Number 4, February 15, 2007
Volume 176, Number 5, March 1, 2007
Volume 176, Number 6, March 15, 2007
Volume 176, Number 7, April 1, 2007
Volume 176, Number 8, April 15, 2007
Volume 176, Number 9--10, May, 2007
Volume 176, Number 11--12, June, 2007
Volume 177, Number 1--2, July, 2007
Volume 177, Number 3, August 1, 2007
Volume 177, Number 4, August 15, 2007
Volume 177, Number 5, September 1, 2007
Volume 177, Number 6, September 15, 2007
Volume 177, Number 7, October 1, 2007
Volume 177, Number 8, October 15, 2007
Volume 177, Number 9, November 1, 2007
Volume 177, Number 10, November 15, 2007
Volume 177, Number 11, December 1, 2007
Volume 177, Number 12, December 15, 2007
Volume 178, Number 1, January 1, 2008
Volume 178, Number 2, January 15, 2008
Volume 178, Number 3, February 1, 2008
Volume 178, Number 4, February 15, 2008
Volume 178, Number 5, March 1, 2008
Volume 178, Number 6, March 15, 2008
Volume 178, Number 7, April 1, 2008
Volume 178, Number 8, April 15, 2008
Volume 178, Number 9, May 1, 2008
Volume 178, Number 10, May 15, 2008
Volume 178, Number 11, June 1, 2008
Volume 178, Number 12, June 15, 2008
Volume 179, Number 1--3, July, 2008
Volume 179, Number 4, August, 2008
Volume 179, Number 5, September 1, 2008
Volume 179, Number 6, September 15, 2008
Volume 179, Number 7, October 1, 2008
Volume 179, Number 8, October 15, 2008
Volume 179, Number 9, November 1, 2008
Volume 179, Number 10, November 15, 2008
Volume 179, Number 11, December 1, 2008
Volume 179, Number 12, December 15, 2008
Volume 180, Number 1, January, 2009
Volume 180, Number 2, February, 2009
Volume 180, Number 3, March, 2009
Volume 180, Number 4, April, 2009
Volume 180, Number 5, May, 2009
Volume 180, Number 6, June, 2009
Volume 180, Number 7, July, 2009
Volume 180, Number 8, August, 2009
Volume 180, Number 9, September, 2009
Volume 180, Number 10, October, 2009
Volume 180, Number 11, November, 2009
Volume 180, Number 12, December, 2009
Volume 181, Number 7, July, 2010
Volume 181, Number 9, September, 2010
Volume 183, Number 5, May, 2012
Volume 212, Number ??, March, 2017


Computer Physics Communications
Volume 31, Number 1, January, 1984

          K. S. Kölbig and   
                      B. Schorr   A program package for the Landau
                                  distribution . . . . . . . . . . . . . . 97--111


Computer Physics Communications
Volume 36, Number 4, June, 1985

             I. J. Thompson and   
                  A. R. Barnett   COULCC: a continued-fraction algorithm
                                  for Coulomb functions of complex order
                                  with complex arguments . . . . . . . . . 363--372


Computer Physics Communications
Volume 47, Number 2--3, November / December, 1987

             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


Computer Physics Communications
Volume 116, Number 2--3, February, 1999

                  Eric Fijalkow   A numerical solution to the Vlasov
                                  equation . . . . . . . . . . . . . . . . 319--328


Computer Physics Communications
Volume 124, Number 1, January 15, 2000

         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

Computer Physics Communications
Volume 124, Number 2--3, February, 2000

                   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


Computer Physics Communications
Volume 125, Number 1--3, March, 2000

                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


Computer Physics Communications
Volume 126, Number 1--2, April, 2000

              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

Computer Physics Communications
Volume 126, Number 3, April 11, 2000

                  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


Computer Physics Communications
Volume 127, Number 1, May 1, 2000

              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

Computer Physics Communications
Volume 127, Number 2--3, May 10, 2000

              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


Computer Physics Communications
Volume 128, Number 1--2, June 9, 2000

        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

Computer Physics Communications
Volume 128, Number 3, June, 2000

               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


Computer Physics Communications
Volume 129, Number 1--3, July, 2000

                    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


Computer Physics Communications
Volume 130, Number 1--2, July, 2000

                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

Computer Physics Communications
Volume 130, Number 3, August 15, 2000

                 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


Computer Physics Communications
Volume 131, Number 1--2, September 1, 2000

                 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

Computer Physics Communications
Volume 131, Number 3, September 15, 2000

               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


Computer Physics Communications
Volume 132, Number 1--2, October 15, 2000

              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

Computer Physics Communications
Volume 132, Number 3, November 1, 2000

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


Computer Physics Communications
Volume 133, Number 1, December 1, 2000

   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

Computer Physics Communications
Volume 133, Number 2--3, January 15, 2001

                 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


Computer Physics Communications
Volume 134, Number 1, February 1, 2001

                   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

Computer Physics Communications
Volume 134, Number 2, February 15, 2001

                  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

Computer Physics Communications
Volume 134, Number 3, March 1, 2001

    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


Computer Physics Communications
Volume 135, Number 1, March 15, 2001

                 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

Computer Physics Communications
Volume 135, Number 2, April 1, 2001

                 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

Computer Physics Communications
Volume 135, Number 3, April 15, 2001

                   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


Computer Physics Communications
Volume 136, Number 1--2, May 1, 2001

          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

Computer Physics Communications
Volume 136, Number 3, May 15, 2001

              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


Computer Physics Communications
Volume 137, Number 1, June 1, 2001

              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

Computer Physics Communications
Volume 137, Number 2, June 15, 2001

               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

Computer Physics Communications
Volume 137, Number 3, July 1, 2001

             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


Computer Physics Communications
Volume 138, Number 1, July 15, 2001

                     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

Computer Physics Communications
Volume 138, Number 2, August 1, 2001

                   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

Computer Physics Communications
Volume 138, Number 3, August 15, 2001

                 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


Computer Physics Communications
Volume 139, Number 1, September 1, 2001

                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

Computer Physics Communications
Volume 139, Number 2, September 15, 2001

        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

Computer Physics Communications
Volume 139, Number 3, October 1, 2001

                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


Computer Physics Communications
Volume 140, Number 1--2, October 15, 2001

                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

Computer Physics Communications
Volume 140, Number 3, November 1, 2001

               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


Computer Physics Communications
Volume 141, Number 1, November 15, 2001

      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

Computer Physics Communications
Volume 141, Number 2, November 30, 2001

                 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

Computer Physics Communications
Volume 141, Number 3, December 1, 2001

                   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


Computer Physics Communications
Volume 142, Number 1--3, December 15, 2001

            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


Computer Physics Communications
Volume 143, Number 1, February 1, 2002

                   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

Computer Physics Communications
Volume 143, Number 2, February 15, 2002

                 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

Computer Physics Communications
Volume 143, Number 3, March 1, 2002

               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


Computer Physics Communications
Volume 144, Number 1, March 15, 2002

             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

Computer Physics Communications
Volume 144, Number 2, April 1, 2002

                 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

Computer Physics Communications
Volume 144, Number 3, April 15, 2002

               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


Computer Physics Communications
Volume 145, Number 1, May 1, 2002

           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

Computer Physics Communications
Volume 145, Number 2, May 15, 2002

                   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

Computer Physics Communications
Volume 145, Number 3, June 1, 2002

           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


Computer Physics Communications
Volume 146, Number 1, June 15, 2002

            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

Computer Physics Communications
Volume 146, Number 2, July 1, 2002

               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

Computer Physics Communications
Volume 146, Number 3, July 15, 2002

                  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


Computer Physics Communications
Volume 147, Number 1--2, August 1, 2002

            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

Computer Physics Communications
Volume 147, Number 3, September 1, 2002

           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


Computer Physics Communications
Volume 148, Number 1, October 1, 2002

               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

Computer Physics Communications
Volume 148, Number 2, October 15, 2002

                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

Computer Physics Communications
Volume 148, Number 3, November 1, 2002

            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


Computer Physics Communications
Volume 149, Number 1, November 15, 2002

        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

Computer Physics Communications
Volume 149, Number 2, December 1, 2002

               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

Computer Physics Communications
Volume 149, Number 3, January, 2003

             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


Computer Physics Communications
Volume 150, Number 1, January 15, 2003

          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

Computer Physics Communications
Volume 150, Number 2, February 1, 2003

             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

Computer Physics Communications
Volume 150, Number 3, February 15, 2003

                 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


Computer Physics Communications
Volume 151, Number 1, March 1, 2003

              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

Computer Physics Communications
Volume 151, Number 2, March 15, 2003

              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

Computer Physics Communications
Volume 151, Number 3, April 1, 2003

                 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


Computer Physics Communications
Volume 152, Number 1, April 15, 2003

                     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

Computer Physics Communications
Volume 152, Number 2, May 1, 2003

        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

Computer Physics Communications
Volume 152, Number 3, May 15, 2003

         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


Computer Physics Communications
Volume 153, Number 1, June 1, 2003

                     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

Computer Physics Communications
Volume 153, Number 2, June 15, 2003

                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

Computer Physics Communications
Volume 153, Number 3, July 1, 2003

                 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


Computer Physics Communications
Volume 154, Number 1, July 15, 2003

          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

Computer Physics Communications
Volume 154, Number 2, August 1, 2003

          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

Computer Physics Communications
Volume 154, Number 3, August 15, 2003

             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


Computer Physics Communications
Volume 155, Number 1, September 1--15, 2003

       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

Computer Physics Communications
Volume 155, Number 2, October, 2003

              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

Computer Physics Communications
Volume 155, Number 3, November 1--15, 2003

        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


Computer Physics Communications
Volume 156, Number 1, December 1--15, 2003

                  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

Computer Physics Communications
Volume 156, Number 2, January 1, 2004

        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

Computer Physics Communications
Volume 156, Number 3, January 15, 2004

            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


Computer Physics Communications
Volume 157, Number 1, February 1, 2004

            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

Computer Physics Communications
Volume 157, Number 2, February 15, 2004

              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

Computer Physics Communications
Volume 157, Number 3, March 1, 2004

                 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


Computer Physics Communications
Volume 158, Number 1, March 15, 2004

        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

Computer Physics Communications
Volume 158, Number 2, April 1, 2004

                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

Computer Physics Communications
Volume 158, Number 3, April 15, 2004

                 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


Computer Physics Communications
Volume 159, Number 1, May 1, 2004

         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

Computer Physics Communications
Volume 159, Number 2, May 15, 2004

                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

Computer Physics Communications
Volume 159, Number 3, June 1, 2004

           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


Computer Physics Communications
Volume 160, Number 1, June 15, 2004

              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

Computer Physics Communications
Volume 160, Number 2, July 1, 2004

          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

Computer Physics Communications
Volume 160, Number 3, July 15, 2004

               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


Computer Physics Communications
Volume 161, Number 1--2, August 1, 2004

        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

Computer Physics Communications
Volume 161, Number 3, August 15, 2004

              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


Computer Physics Communications
Volume 162, Number 1, September 1, 2004

                     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

Computer Physics Communications
Volume 162, Number 2, September 15, 2004

           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

Computer Physics Communications
Volume 162, Number 3, October 1, 2004

                  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


Computer Physics Communications
Volume 163, Number 1, October 15, 2004

                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

Computer Physics Communications
Volume 163, Number 2, November 1, 2004

             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

Computer Physics Communications
Volume 163, Number 3, November 15, 2004

        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


Computer Physics Communications
Volume 164, Number 1--3, December 1--15, 2004

               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


Computer Physics Communications
Volume 165, Number 1, January 1, 2005

               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--Nicholson
                                  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

Computer Physics Communications
Volume 165, Number 2, January 15, 2005

               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

Computer Physics Communications
Volume 165, Number 3, February 1, 2005

                  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


Computer Physics Communications
Volume 166, Number 1, February 15, 2005

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

Computer Physics Communications
Volume 166, Number 2, March 1, 2005

                    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

Computer Physics Communications
Volume 166, Number 3, March 15, 2005

            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


Computer Physics Communications
Volume 167, Number 1, April 1, 2005

                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

Computer Physics Communications
Volume 167, Number 2, April 15, 2005

                 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

Computer Physics Communications
Volume 167, Number 3, May 1, 2005

             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


Computer Physics Communications
Volume 168, Number 1, May 15, 2005

                    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

Computer Physics Communications
Volume 168, Number 2, June 1, 2005

              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

Computer Physics Communications
Volume 168, Number 3, June 15, 2005

                   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


Computer Physics Communications
Volume 169, Number 1--3, July 1, 2005

               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


Computer Physics Communications
Volume 170, Number 1, July 15, 2005

          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

Computer Physics Communications
Volume 170, Number 2, August 1, 2005

           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

Computer Physics Communications
Volume 170, Number 3, August 15, 2005

                    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


Computer Physics Communications
Volume 171, Number 1, September 1, 2005

               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

Computer Physics Communications
Volume 171, Number 2, September 15, 2005

            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

Computer Physics Communications
Volume 171, Number 3, October 1, 2005

                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  . . . . . . . . . . . . ??


Computer Physics Communications
Volume 172, Number 1, October 15, 2005

              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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 172, Number 2, November 1, 2005

                   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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 172, Number 3, November 15, 2005

               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  . . . . . . . . . . . . ??


Computer Physics Communications
Volume 173, Number 1--2, December 1, 2005

                   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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 173, Number 3, December 15, 2005

              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  . . . . . . . . . . . . ??


Computer Physics Communications
Volume 174, Number 1, January 1, 2006

          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

Computer Physics Communications
Volume 174, Number 2, January 15, 2006

                  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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 174, Number 3, February 1, 2006

             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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 174, Number 4, February 15, 2006

                      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

Computer Physics Communications
Volume 174, Number 5, March 1, 2006

                      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

Computer Physics Communications
Volume 174, Number 6, March 15, 2006

                      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

Computer Physics Communications
Volume 174, Number 7, April 1, 2006

                      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

Computer Physics Communications
Volume 174, Number 8, April 15, 2006

                      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

Computer Physics Communications
Volume 174, Number 9, May 1, 2006

                      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

Computer Physics Communications
Volume 174, Number 10, May 15, 2006

                      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

Computer Physics Communications
Volume 174, Number 11, June 1, 2006

                      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

Computer Physics Communications
Volume 174, Number 12, June 15, 2006

                      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


Computer Physics Communications
Volume 175, Number 1, July 1, 2006

     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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 175, Number 2, July 15, 2006

                  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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 175, Number 3, August 1, 2006

                      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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 175, Number 4, August 15, 2006

                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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 175, Number 5, September 1, 2006

     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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 175, Number 6, September 15, 2006

              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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 175, Number 7, October 1, 2006

                  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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 175, Number 8, October 15, 2006

                  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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 175, Number 9, November 1, 2006

             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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 175, Number 10, November 15, 2006

                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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 175, Number 11--12, December 1--15, 2006

                 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  . . . . . . . . . . . . ??


Computer Physics Communications
Volume 176, Number 1, January 1, 2007

        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

Computer Physics Communications
Volume 176, Number 2, January 15, 2007

           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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 176, Number 3, February 1, 2007

                   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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 176, Number 4, February 15, 2007

                  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 . . . . . . . . ??

Computer Physics Communications
Volume 176, Number 5, March 1, 2007

               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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 176, Number 6, March 15, 2007

               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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 176, Number 7, April 1, 2007

                 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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 176, Number 8, April 15, 2007

                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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 176, Number 9--10, May, 2007

                  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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 176, Number 11--12, June, 2007

                   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  . . . . . . . . . . . . ??


Computer Physics Communications
Volume 177, Number 1--2, July, 2007

       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

Computer Physics Communications
Volume 177, Number 3, August 1, 2007

                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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 177, Number 4, August 15, 2007

           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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 177, Number 5, September 1, 2007

                 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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 177, Number 6, September 15, 2007

                   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 . . . . . . . . . . . . ??

Computer Physics Communications
Volume 177, Number 7, October 1, 2007

                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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 177, Number 8, October 15, 2007

                   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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 177, Number 9, November 1, 2007

                 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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 177, Number 10, November 15, 2007

            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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 177, Number 11, December 1, 2007

              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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 177, Number 12, December 15, 2007

                   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  . . . . . . . . . . . . ??


Computer Physics Communications
Volume 178, Number 1, January 1, 2008

           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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 178, Number 2, January 15, 2008

            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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 178, Number 3, February 1, 2008

              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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 178, Number 4, February 15, 2008

                    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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 178, Number 5, March 1, 2008

                 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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 178, Number 6, March 15, 2008

              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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 178, Number 7, April 1, 2008

                   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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 178, Number 8, April 15, 2008

               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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 178, Number 9, May 1, 2008

               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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 178, Number 10, May 15, 2008

        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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 178, Number 11, June 1, 2008

             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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 178, Number 12, June 15, 2008

          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  . . . . . . . . . . . . ??


Computer Physics Communications
Volume 179, Number 1--3, July, 2008

                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

Computer Physics Communications
Volume 179, Number 4, August, 2008

               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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 179, Number 5, September 1, 2008

           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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 179, Number 6, September 15, 2008

                 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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 179, Number 7, October 1, 2008

               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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 179, Number 8, October 15, 2008

                  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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 179, Number 9, November 1, 2008

           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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 179, Number 10, November 15, 2008

                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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 179, Number 11, December 1, 2008

              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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 179, Number 12, December 15, 2008

                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  . . . . . . . . . . . . ??


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

                 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  . . . . . . . . . . . . ??

Computer Physics Communications
Volume 180, Number 2, February, 2009

             Z. Kalogiratou and   
            Th. Monovasilis and   
                    T. E. Simos   Computation of the eigenvalues of the
                                  Schrödinger equation by
                                  exponentially-fitted
                                  Runge--Kutta--Nyström methods . . . . . . 167--176
                J. G. Jiang and   
                    Y. N. Huang   Simulation of distribution of random
                                  walks on a lattice . . . . . . . . . . . 177--179
                    Nigel Cundy   Low-lying Wilson Dirac operator
                                  eigenvector mixing in dynamical overlap
                                  hybrid Monte Carlo . . . . . . . . . . . 180--191
            Guang-Hui Cheng and   
             Ting-Zhu Huang and   
                  Shu-Qian Shen   Block triangular preconditioners for the
                                  discretized time-harmonic Maxwell
                                  equations in mixed form  . . . . . . . . 192--196
          Jean-Paul Brichta and   
             Aden N. Seaman and   
            Joseph H. Sanderson   Ultrafast imaging of polyatomic
                                  molecules with simplex algorithm . . . . 197--200
                Nigel Cundy and   
               Stefan Krieg and   
             Thomas Lippert and   
           Andreas Schäfer   Topological tunnelling with dynamical
                                  overlap fermions . . . . . . . . . . . . 201--208
                    Y. Duan and   
                 P. F. Tang and