Computer Physics Communications, Volume 175

Volume 175, Number 1, July 2006

Computational physics

• 
  Claudia Ambrosch-Draxl, Jorge O. Sofo:
  Linear optical properties of solids within the full-potential linearized augmented planewave method. 1-14
• 
  X. Wu, J. F. Zhu, J. Z. He, H. Zhang:
  On stabilization of energy for Hamiltonian systems. 15-24
• 
  Pei-Chi Wu, Kuo-Chan Huang:
  Parallel use of multiplicative congruential random number generators. 25-29
• 
  Mikhail Z. Tokar, Denis Kalupin, Denis Pilipenko:
  Numerical solution of transport equations for plasmas with transport barriers. 30-35
• 
  Hwee Kuan Lee, Yutaka Okabe, D. P. Landau:
  Convergence and refinement of the Wang-Landau algorithm. 36-40

Computer programs in physics

• 
  Simone Taioli, Jonathan Tennyson:
  WATERWAVES: wave particles dynamics on a complex triatomic potential. 41-51
• 
  Gediminas Gaigalas, Stephan Fritzsche, E. Gaidamauskas, Gediminas Kirsanskas, T. Zalandauskas:
  Jahn - A program for representing atomic and nuclear states within an isospin basis. 52-66
• 
  Georg K. H. Madsen, David J. Singh:
  BoltzTraP. A code for calculating band-structure dependent quantities. 67-71

Volume 175, Number 2, July 2006

Computational physics

• 
  A. Duncan, R. D. Sedgewick, Robert D. Coalson:
  Fast Fourier Transform simulation techniques for Coulomb gases. 73-77
• 
  Wenbin Lin, Narayan Kovvali, Lawrence Carin:
  Pseudospectral method based on prolate spheroidal wave functions for semiconductor nanodevice simulation. 78-85
• 
  Holger Schmitz, Rainer Grauer:
  Comparison of time splitting and backsubstitution methods for integrating Vlasov's equation with magnetic fields. 86-92
• 
  Ronald Kleiss, Achilleas Lazopoulos:
  Error in Monte Carlo, quasi-error in Quasi-Monte Carlo. 93-115
• 
  Rui P. S. Fartaria, Rodrigo S. Neves, Pedro C. R. Rodrigues, Filomena F. M. Freitas, Fernando M. S. Silva Fernandes:
  A time saving algorithm for the Monte Carlo method of Metropolis. 116-121

Computer programs in physics

• 
  Tobias Huber, Daniel Maître:
  HypExp, a Mathematica package for expanding hypergeometric functions around integer-valued parameters. 122-144
• 
  T. Radtke, Stephan Fritzsche:
  Simulation of n-qubit quantum systems. II. Separability and entanglement. 145-166

Volume 175, Number 3, August 2006

Computational physics

• 
  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, Heng Liang, Fengshan Bai:
  An efficient algorithm for computing permanental polynomials of graphs. 196-203
• 
  Barna Pongrácz, Gábor Szederkényi, Katalin M. Hangos:
  An algorithm for determining a class of invariants in quasi-polynomial systems. 204-211

Computer programs in physics

• 
  Edoardo Milotti:
  PLNoise: a package for exact numerical simulation of power-law noises. 212-225
• 
  I. I. Guseinov, Bahtiyar A. Mamedov, 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
• 
  James Monk, Andrew Pilkington:
  ExHuME 1.3: A Monte Carlo event generator for exclusive diffraction. 232-239

Volume 175, Number 4, August 2006

Computational physics

• 
  Zhongcheng Wang:
  Trigonometrically-fitted method for a periodic initial value problem with two frequencies. 241-249
• 
  Pavel Popovich, Wilfred Anthony Cooper, Laurent Villard:
  A full-wave solver of the Maxwell's equations in 3D cold plasmas. 250-263
• 
  Juan Elezgaray, Michel Laguerre:
  A systematic method to derive force fields for coarse-grained simulations of phospholipids. 264-268
• 
  Nobuyuki Aiba, Shinji Tokuda, Tomoko Ishizawa, Masao Okamoto:
  Extension of the Newcomb equation into the vacuum for the stability analysis of tokamak edge plasmas. 269-289

Computer programs in physics

• 
  Ulrich Ellwanger, Cyril Hugonie:
  NMHDECAY 2.1: An updated program for sparticle masses, Higgs masses, couplings and decay widths in the NMSSM. 290-303
• 
  Charles J. Gillan, Alex Schuchinsky, Ivor T. A. Spence:
  Computing zeros of analytic functions in the complex plane without using derivatives. 304-313

Volume 175, Number 5, September 2006

Computational physics

• 
  Emmanuel Perrey-Debain, I. David Abrahams:
  A band factorization technique for transition matrix element asymptotics. 315-322
• 
  I. J. Bush, Ilian T. Todorov, W. Smith:
  A DAFT DL_POLY distributed memory adaptation of the Smoothed Particle Mesh Ewald method. 323-329
• 
  Dennis C. Smolarski, Ramesh Balakrishnan, Eduardo F. D'Azevedo, John W. Fettig, O. E. Bronson Messer, Anthony Mezzacappa, Faisal Saied, Paul E. Saylor, 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, Bhupesh Bansal, Paulo S. Branicio, Rajiv K. Kalia, Aiichiro Nakano, Ashish Sharma, Priya Vashishta:
  Collision-free spatial hash functions for structural analysis of billion-vertex chemical bond networks. 339-347

Computer programs in physics

• 
  Juha Nikkinen, Stephan Fritzsche, Sami Heinäsmäki:
  Revised and extended Utilities for the Ratip package. 348-358
• 
  Fanis G. Kalatzis, Dimitris G. Papageorgiou, 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, Alexandra Gade:
  MOMDIS: a Glauber model computer code for knockout reactions. 372-380
• 
  Stefano Pozzorini, Ettore Remiddi:
  Precise numerical evaluation of the two loop sunrise graph Master Integrals in the equal mass case. 381-387

Volume 175, Number 6, September 2006

Computational physics

• 
  Peter V. Coveney, Gianni De Fabritiis, Matt J. Harvey, Stephen Pickles, Andrew 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
• 
  Robertas Balevicius, Algis Dziugys, Rimantas Kacianauskas, Algirdas Maknickas, K. Vislavicius:
  Investigation of performance of programming approaches and languages used for numerical simulation of granular material by the discrete element method. 404-415
• 
  Ji Qiang, Damon S. Todd, Daniela Leitner:
  A 3D model for ion beam formation and transport simulation. 416-423
• 
  Veerle Ledoux, Margarit Rizea, Liviu Gr. Ixaru, Guido Vanden Berghe, Marnix Van Daele:
  Solution of the Schrödinger equation by a high order perturbation method based on a linear reference potential. 424-439

Computer programs in physics

• 
  Andreu Badal, Josep Sempau:
  A package of Linux scripts for the parallelization of Monte Carlo simulations. 440-450

Volume 175, Number 7, October 2006

Computational physics

• 
  M. M. Ali, Roger Smith, Steven 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, Scott M. Auerbach:
  On time-step bounds in unitary quantum evolution using the Lanczos method. 473-481
• 
  Baozeng Guo, Umberto Ravaioli, Maritin Staedele:
  Full band Monte Carlo calculations of velocity-field characteristics of wurtzite ZnO. 482-486

Computer programs in physics

• 
  S. Chumakov, E. Jankowski, Fyodor 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

Erratum

• 
  Nico Sanna, 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 162 (2004) 51-78]. 509

Volume 175, Number 8, October 2006

Computational physics

• 
  Stanislaw Jadach, Maciej Skrzypek:
  Solving constrained Markovian evolution in QCD with the help of the non-Markovian Monte Carlo. 511-527
• 
  Solène Le Bourdiec, Florian De Vuyst, Laurent Jacquet:
  Numerical solution of the Vlasov-Poisson system using generalized Hermite functions. 528-544
• 
  Fanya Jin, Honghui Tong, Zhongbing Shi, Deli Tang, Paul K. Chu:
  Effects of external magnetic field on propagation of electromagnetic wave in uniform magnetized plasma slabs. 545-552
• 
  Mehmet Dilaver, Semra Gündüç, Meral Aydin, Yigit Gündüç:
  Dynamic critical index of the Swendsen-Wang algorithm by dynamic finite-size scaling. 553-558

Computer programs in physics

• 
  Michal Czakon:
  Automatized analytic continuation of Mellin-Barnes integrals. 559-571

New version announcements

• 
  Poul Martin Hansen, Iva Marija Tolic-Nørrelykke, Henrik Flyvbjerg, Kirstine Berg-Sørensen:
  tweezercalib 2.1: Faster version of MatLab package for precise calibration of optical tweezers. 572-573

Volume 175, Number 9, November 2006

Computational physics

• 
  Jinn-Liang Liu, Jen-Hao Chen, O. Voskoboynikov:
  A model for semiconductor quantum dot molecule based on the current spin density functional theory. 575-582
• 
  Songwon Seo, Oakkey Min:
  Axisymmetric SPH simulation of elasto-plastic contact in the low velocity impact. 583-603
• 
  Fatih Yasar, K. Demir:
  The study of helix-coil transition of polyalanine with single histogram method. 604-611
• 
  Veerle Ledoux, Liviu Gr. Ixaru, Margarit Rizea, Marnix Van Daele, Guido Vanden Berghe:
  Solution of the Schrödinger equation over an infinite integration interval by perturbation methods, revisited. 612-619

Computer programs in physics

• 
  Oliver Holub, Sérgio T. Ferreira:
  Quantitative histogram analysis of images. 620-623
• 
  Chao-Hsi Chang, Jian-Xiong Wang, Xing-Gang Wu:
  An upgraded version of the generator BCVEGPY2.0 for hadronic production of B_c meson and its excited states. 624-627

Volume 175, Number 10, November 2006

Computational physics

• 
  Bernard B. Beard, Michele Pepe, Stéphane Jean Riederer, Uwe-Jens Wiese:
  Efficient cluster algorithm for CP(N-1) models. 629-634

Computer programs in physics

• 
  Giorgio Torrieri, Sangyong Jeon, Jean Letessier, Johann Rafelski:
  SHAREv2: fluctuations and a comprehensive treatment of decay feed-down. 635-649
• 
  Martin Kröger, Markus Hütter:
  Symbolic computation of the phoretic acceleration of convex particles suspended in a non-uniform gas. 650-664
• 
  Soshi Tsuno, Toshiaki Kaneko, Yoshimasa Kurihara, Shigeru Odaka, Kiyoshi Kato:
  GR@PPA 2.7 event generator for pp/pp collisions. 665-677
• 
  Marcin Brzuszek, Andrzej Daniluk:
  Multithreaded transactions in scientific computing: New versions of a computer program for kinematical calculations of RHEED intensity oscillations. 678-681

Volume 175, Numbers 11-12, December 2006

Computational physics

• 
  Jianhui Li, Zhongwu Zhou, 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
• 
  Ayda Beddall, Andrew Beddall, Ahmet Bingül, Yilmaz Durmaz:
  Smoothed multi-variate histogrammed PDEs, and chi² optimisation. 700-707
• 
  Thomas Schanze:
  An exact D-dimensional Tsallis random number generator for generalized simulated annealing. 708-712
• 
  Colin W. Glass, Artem R. Oganov, Nikolaus Hansen:
  USPEX - Evolutionary crystal structure prediction. 713-720
• 
  Y.-Y. Lian, K.-H. Hsu, Y.-L. Shao, Yun-Min Lee, Y.-W. Jeng, Jong-Shinn Wu:
  Parallel adaptive mesh-refining scheme on a three-dimensional unstructured tetrahedral mesh and its applications. 721-737
• 
  Charlotte Froese Fischer, Gediminas Gaigalas, Yuri Ralchenko:
  Some corrections to GRASP92. 738-744

New version announcements

• 
  F. A. Parpia, Charlotte Froese Fischer, I. P. Grant:
  GRASP92: a package for large-scale relativistic atomic structure calculations. 745-747