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23 Statistical Physics and Thermodynamics
AADW_v1_0 MICROIS
Fortran code for the three-dimensional Ising model.
M. Creutz, K.J.M. Moriarty
Comput. Phys. Commun. 39(1986)173
AADW_v2_0 ISING
Vectorization of the three-dimensional Ising model program on the CDC CYBER 205.
M. Creutz, K.J.M. Moriarty, M. O'Brien
Comput. Phys. Commun. 42(1986)191
AATS_v1_0 KAPPA,KP
High temperature expansion via Schwinger-Dyson equations: the planar rotator model on a triangular lattice.
P. Butera, R. Cabassi, M. Comi, G. Marchesini
Comput. Phys. Commun. 44(1987)143
ABDA_v1_0 GLASS
A fast vectorized program for the CDC CYBER 205 to simulate the Ising spin glass in three dimensions.
G. Bhanot, R. Salvador, D. Duke, K.J.M. Moriarty
Comput. Phys. Commun. 49(1988)465
ABFY_v1_0 BCC64
Fortran code for the three-dimensional Ising model on body-centered cubic and face-centered cubic lattices.
J.-M. Drouffe, K.J.M. Moriarty
Comput. Phys. Commun. 52(1989)249
ABFZ_v1_0 FCC64
Fortran code for the three-dimensional Ising model on body-centered cubic and face-centered cubic lattices.
J.-M. Drouffe, K.J.M. Moriarty
Comput. Phys. Commun. 52(1989)249
ABHR_v1_0 MICRO
A fast vectorized program for the Cyber 205 to calculate the partition function of the 3-D Ising model.
P.A. Carter
Comput. Phys. Commun. 54(1989)103
ABRG_v1_0 ISINGSIMULATOR
A fast vectorized Fortran 77 program for the Monte Carlo simulation of the three dimensional Ising system.
H.-O. Heuer
Comput. Phys. Commun. 58(1990)387
ABTJ_v1_0 HUBCOM
HUBCOM: a program for Monte Carlo simulations on generalized Hubbard models.
S.J. Sciutto
Comput. Phys. Commun. 62(1991)90
ACCP_v1_0 ISING
A fast algorithm for investigations on the three-dimensional Ising model. See erratum Comp. Phys. Commun. 55(1989)251.
M. Creutz, P. Mitra, K.J.M. Moriarty
Comput. Phys. Commun. 33(1984)361
ACGL_v1_0 HNCR
HNCR: a program to calculate the structure and thermodynamics of binary mixtures of charged hard spheres.
E. Lomba, J.S. Hoye
Comput. Phys. Commun. 69(1992)420
ACHS_v1_0 LOOPS
Swendsen-Wang dynamics for Potts model on a dynamically triangulated random surface.
Z. Burda, J. Jurkiewicz, L. Karkkainen
Comput. Phys. Commun. 70(1992)510
ADGN_v1_0 SPINSGA
SPINSGA: a program package for evaluation of properties of spin-1/2 Heisenberg systems using the symmetric group approach.
N. Flocke
Comput. Phys. Commun. 106(1997)114
ADKQ_v1_0 kb
A Fortran code for solving the Kadanoff-Baym equations for a homogeneous fermion system.
H.S. Kohler, N.H. Kwong, H.A. Yousif
Comput. Phys. Commun. 123(1999)123
ADOE_v1_0 jacobi2.0
Symbolic test of the Jacobi identity for given generalized 'Poisson' bracket.
M. Kroger, M. Hutter, H.C. Ottinger
Comput. Phys. Commun. 137(2001)325
ADOM_v1_0 SMM
A computer program for statistical multifragmentation of nuclei.
R. Donangelo, K. Sneppen, S.R. Souza
Comput. Phys. Commun. 140(2001)405
ADRK_v1_0 GMIC++
GMIC++: grouping method in C++: an efficient method to solve a large number of master equations.
A.M. Ovcharenko, S.I. Golubov, C.H. Woo, H. Huang
Comput. Phys. Commun. 152(2003)208
ADTV_v1_0 tweezercalib
MatLab program for precision calibration of optical tweezers.
I.M. Tolic-Norrelykke, K. Berg-Sorensen, H. Flyvbjerg
Comput. Phys. Commun. 159(2004)225
ADTV_v2_0 tweezercalib
tweezercalib 2.0: Faster version of MatLab package for precise calibration of optical tweezers
Poul Martin Hansen, Iva Marija Tolic-Nørrelykke, Henrik Flyvbjerg, Kirstine Berg-Sørensen
Comput. Phys. Commun. 174(2006)518
ADTV_v2_1 tweezercalib
tweezercalib 2.1: Faster version of MatLab package for precise calibration of optical tweezers
Poul Martin Hansen, Iva Marija Tolic-Nørrelykke, Henrik Flyvbjerg, Kirstine Berg-Sørensen
Comput. Phys. Commun. 175(2006)572
ADVK_v1_0 TPEM
The Truncated Polynomial Expansion Monte Carlo Method for Fermion Systems Coupled to Classical Fields: A Model Independent Implementation
G. Alvarez, C. Sen, N. Furukawa, Y. Motome, E. Dagotto
Comput. Phys. Commun. 168(2005)32
ADWL_v1_0 GraphGen
A program generating homogeneous random graphs with given weights
L. Bogacz, Z. Burda, W. Janke, B. Waclaw
Comput. Phys. Commun. 173(2005)162
ADYI_v1_0 PHORETIC
Symbolic computation of the phoretic acceleration of convex particles suspended in a non-uniform gas
Martin Kröger, Markus Hütter
Comput. Phys. Commun. 175(2006)650
AEBY_v1_0 MDVRY
MDVRY: a polarizable classical molecular dynamics package for biomolecules
M. Souaille, H. Loirat, D. Borgis, M.P. Gaigeot
Comput. Phys. Commun. 180(2009)276
AEDJ_v1_0 DMRG++
The Density Matrix Renormalization Group for Strongly Correlated Electron Systems: A Generic Implementation
G. Alvarez
Comput. Phys. Commun. 180(2009)1572
AEDJ_v2_0 DMRG++
Implementation of the SU(2) Hamiltonian Symmetry for the DMRG Algorithm
G. Alvarez
Comput. Phys. Commun. 183(2012)2226
AEDT_v1_0 JChainsAnalyser
JChainsAnalyser: an ImageJ-based stand-alone application for the study of magneto-rheological fluids.
P. Domínguez-García, M.A. Rubio
Comput. Phys. Commun. 180(2009)1956
AEEE_v1_0 PLUMED
PLUMED: a portable plugin for free-energy calculations with molecular dynamics
Massimiliano Bonomi, Davide Branduardi, Giovanni Bussi, Carlo Camilloni, Davide Provasi, Paolo Raiteri, Davide Donadio, Fabrizio Marinelli, Fabio Pietrucci, Ricardo A. Broglia, Michele Parrinello
Comput. Phys. Commun. 180(2009)1961
AEEE_v2_0 PLUMED 2
PLUMED 2: New feathers for an old bird
Gareth A Tribello, Massimiliano Bonomi, Davide Branduardi, Carlo Camilloni, Giovanni Bussi
Comput. Phys. Commun. 185(2014)604
AEGN_v1_0 HOMISBOLTZ
Nonlinear Boltzmann equation for the homogeneous isotropic case: Minimal deterministic Matlab program
Pietro Asinari
Comput. Phys. Commun. 181(2010)1776
AEGR_v1_0 TweezPal
TweezPal - Optical tweezers analysis and calibration software
Natan Osterman
Comput. Phys. Commun. 181(2010)1911
AEGW_v1_0 Poissonbracket.nb
Automated symbolic calculations in nonequilibrium thermodynamics
Martin Kröger, Markus Hütter
Comput. Phys. Commun. 181(2010)2149
AEHJ_v1_0 COOL
COOL: a code for Dynamic Monte Carlo Simulation of molecular dynamics
Paolo Barletta
Comput. Phys. Commun. 182(2011)388
AEHJ_v2_0 COOL
COOL: a code for Dynamic Monte Carlo Simulation of molecular dynamics
Paolo Barletta
Comput. Phys. Commun. 183(2012)438
AEKH_v1_0 METAGUI
METAGUI. A VMD Interface for Analyzing Metadynamics and Molecular Dynamics Simulations.
Xevi Biarnés, Fabio Pietrucci, Fabrizio Marinelli, Alessandro Laio
Comput. Phys. Commun. 183(2012)203
AEMF_v1_0 MSTor
MSTor: A program for calculating partition functions, free energies, enthalpies, entropies, and heat capacities of complex molecules including torsional anharmonicity
Jingjing Zheng, Steven L. Mielke, Kenneth L. Clarkson, Donald G. Truhlar
Comput. Phys. Commun. 183(2012)1803
AEMF_v2_0 MSTor
MSTor version 2013: A new version of the computer code for the multistructural torsional anharmonicity with a coupled torsional potential
Jingjing Zheng, Rubén Meana-Pañeda, Donald G. Truhlar
Comput. Phys. Commun. 184(2013)2032
AEMG_v1_0 SGFF
Regularization of multi-soliton form factors in sine-Gordon model
T. Pálmai
Comput. Phys. Commun. 183(2012)1813
AENV_v1_0 md2fret
In silico FRET from simulated dye dynamics
Martin Hoefling, Helmut Grubmüller
Comput. Phys. Commun. 184(2013)841
AENZ_v1_0 MCMC2
MCMC2: a Monte Carlo code for Multiply-Charged Clusters
David A. Bonhommeau, Marie-Pierre Gaigeot
Comput. Phys. Commun. 184(2013)873
AENZ_v1_1 MCMC2
MCMC2 (version 1.1): A Monte Carlo code for multiply charged clusters
David A. Bonhommeau, Marius Lewerenz, Marie-Pierre Gaigeot
Comput. Phys. Commun. 185(2014)1188
AENZ_v1_2 MCMC2
MCMC2 (version 1.1.1): A Monte Carlo code for multiply charged clusters
David A. Bonhommeau
Comput. Phys. Commun. 196(2015)614
AEQM_v1_0 Density Profile Tool
Computing 1-D atomic densities in macromolecular simulations: the Density Profile Tool for VMD
Toni Giorgino
Comput. Phys. Commun. 185(2014)317
AEQO_v1_0 CPLAP
Automated procedure to determine the thermodynamic stability of a material and the range of chemical potentials necessary for its formation relative to competing phases and compounds
J. Buckeridge, D.O. Scanlon, A. Walsh, C.R.A. Catlow
Comput. Phys. Commun. 185(2014)330
AERI_v1_0 MDMC2
MDMC2: A molecular dynamics code for investigating the fragmentation dynamics of multiply charged clusters
David A. Bonhommeau, Marie-Pierre Gaigeot
Comput. Phys. Commun. 185(2014)684
AERJ_v1_0 qar-0.1
Quasi-Monte Carlo methods for lattice systems: a first look
K. Jansen, H. Leovey, A. Ammon, A. Griewank, M. Müller-Preussker
Comput. Phys. Commun. 185(2014)948
AERM_v1_0 SWspin
CUDA programs for GPU computing of Swendsen-Wang multi-cluster spin flip algorithm: 2D and 3D Ising, Potts, and XY models
Yukihiro Komura, Yutaka Okabe
Comput. Phys. Commun. 185(2014)1038
AERM_v2_0 SWspin_v2_0
Improved CUDA programs for GPU computing of Swendsen-Wang multi-cluster spin flip algorithm: 2D and 3D Ising, Potts, and XY models
Yukihiro Komura, Yutaka Okabe
Comput. Phys. Commun. 200(2016)400
AERQ_v1_0 SYMPLER
SYMPLER: SYMbolic ParticLE simulatoR with grid-computing interface
David Kauzlarić, Marek Dynowski, Lars Pastewka, Andreas Greiner, Jan G. Korvink
Comput. Phys. Commun. 185(2014)1085
AERU_v1_0 PLUMED-GUI (Collective variable analysis plugin)
PLUMED-GUI: an environment for the interactive development of molecular dynamics analysis and biasing scripts
Toni Giorgino
Comput. Phys. Commun. 185(2014)1109
AESO_v1_0 vmf90
The vmf90 program for the numerical resolution of the Vlasov equation for mean-field systems
Pierre de Buyl
Comput. Phys. Commun. 185(2014)1822
AEVP_v1_0 poisson, dich
GPU accelerated Monte Carlo simulation of Brownian motors dynamics with CUDA
J. Spiechowicz, M. Kostur, L. Machura
Comput. Phys. Commun. 191(2015)140
AEVZ_v1_0 SimAn v1.0
Optimised simulated annealing for Ising spin glasses
S. V. Isakov, I. N. Zintchenko, T. F. Rønnow, M. Troyer
Comput. Phys. Commun. 192(2015)265
AEWS_v1_0 QMMMW
QMMMW: A wrapper for QM/MM simulations with Quantum ESPRESSO and LAMMPS
Changru Ma, Layla Martin-Samos, Stefano Fabris, Alessandro Laio, Simone Piccinin
Comput. Phys. Commun. 195(2015)191
AEXC_v1_0 Hyperbolic graph generator
Hyperbolic Graph Generator
Rodrigo Aldecoa, Chiara Orsini, Dmitri Krioukov
Comput. Phys. Commun. 196(2015)492
AEXH_v1_0 PFMCal
Calibration of optical tweezers with non-spherical probes via high-resolution detection of Brownian motion
A. Butykai, F.M. Mor, R. Gaál, P. Domínguez-García, L. Forró, S. Jeney
Comput. Phys. Commun. 196(2015)599
AEXU_v1_0 SWspin_OpenACC
OpenACC programs of the Swendsen-Wang multi-cluster spin flip algorithm
Yukihiro Komura
Comput. Phys. Commun. 197(2015)298
AEYC_v1_0 Metadyn View
Metadyn View: Fast Web-Based Viewer of Free Energy Surfaces Calculated by Metadynamics
Petr Hosek, Vojtech Spiwok
Comput. Phys. Commun. 198(2016)222
AEZA_v1_0 pyIAST
pyIAST: Ideal Adsorbed Solution Theory (IAST) Python Package
Cory M. Simon, Berend Smit, Maciej Haranczyk
Comput. Phys. Commun. 200(2016)364
AEZN_v1_0 ProtoMD
ProtoMD: A Prototyping Toolkit for Multiscale Molecular Dynamics
Endre Somogyi, Andrew Abi Mansour, Peter J. Ortoleva
Comput. Phys. Commun. 202(2016)337
AFAD_v1_0 MoRiBS-PIMC
MoRiBS-PIMC: a program to simulate molecular rotors in bosonic solvents using path-integral Monte Carlo
Tao Zeng, Nicholas Blinov, Grégoire Guillon, Hui Li, Kevin P. Bishop, Pierre-Nicholas Roy
Comput. Phys. Commun. 204(2016)170
AFBH_v1_0 FREQ
Computational Thermochemistry: Automated Generation of Scale Factors for Vibrational Frequencies for All Density Functional and Basis Set Combinations
Haoyu S. Yu, Lucas J. Fiedler, I. M. Alecu, Donald G. Truhlar
Comput. Phys. Commun. 210(2016)132