Programs in Physics & Physical Chemistry
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Programs in Physics & Physical Chemistry |
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| Index | Classification |
| 7 | Condensed Matter and Surface Science |
| 7.1 | Defects |
| AAOL_v1_0 | POINT DEFECTS IN CRYSTALS Shell model calculations of point defect formation energies in cubic ionic crystals. D.D. Richardson Comput. Phys. Commun. 28(1982)75 |
| AAOS_v1_0 | GB1, GB2, GB3 A programming package for the study of high angle grain boundaries by using TEM. G.L. Bleris, Th. Karakostas, P. Delavignette Comput. Phys. Commun. 28(1983)287 |
| ABRF_v1_0 | VIDSIM VER. 2.11 VIDSIM: a Monte Carlo program for the simulation of atomic diffusion in diamond and zinc-blende structures. U. Schmid, N.C. Myers, J.A. Van Vechten Comput. Phys. Commun. 58(1990)329 |
| ABVZ_v1_0 | DIFSEG A program to solve a solute diffusion problem with segregation at a moving interface. M. Bakker, D. Hoonhout Comput. Phys. Commun. 22(1981)439 |
| ACKK_v1_0 | NONLIN Nonlinear computation of anisotropic elastic fields about straight edge dislocations. P. Petrasch Comput. Phys. Commun. 11(1976)279 |
| ACKL_v1_0 | ANISCO Computation of the anisotropic cubic elastic Green's tensor function and the elastic energy coefficients of point defects in crystals. R.K. Leutz, R. Bauer Comput. Phys. Commun. 11(1976)339 |
| ACKN_v1_0 | SROCASE A program for the study of short range order of binary alloys. G.L. Bleris, Ch. Polatoglou Comput. Phys. Commun. 13(1977)49 |
| ACKO_v1_0 | RANDOM VACANCY MIGRATION Computer simulation of correlated self-diffusion via randomly migrating vacancies in cubic crystals. D. Wolf, K. Differt Comput. Phys. Commun. 13(1977)167 |
| ACKO_v1_0 | 0001 CORRELATION FACTOR AND NMR Determination of correlation factor and NMR diffusion parameters from the computer-simulated random motion of vacancies in cubic crystals. D. Wolf, K. Differt, H. Mehrer Comput. Phys. Commun. 13(1977)183 |
| ACKQ_v1_0 | HEXALAT Two subroutines for calculating lattice sums and the distortion field due to a point force in hexagonal systems. W. Maysenholder Comput. Phys. Commun. 24(1981)89 |
| ACMS_v1_0 | GFCUBE Program to calculate elastic Green's functions, displacement fields and interaction energies in cubic materials. J.W. Deutz, H.R. Schober Comput. Phys. Commun. 30(1983)87 |
| ACQY_v1_0 | GRAINS Computer simulation of extended defects in metals. R.E. Dahl Jr., J.R. Beeler Jr., R.D. Bourquin Comput. Phys. Commun. 2(1971)301 |
| ACUE_v1_0 | CLUSTER 78 Calculation of the nucleation and growth of defect clusters. P.B. Kruger, R.M. Mayer Comput. Phys. Commun. 18(1979)385 |
| ADOD_v1_0 | GFCUBHEX GFCUBHEX: program to calculate elastic Green's functions and displacement fields for applications in atomistic simulations of defects in cubic and HCP crystals. S.I. Golubov, X. Liu, H. Huang, C.H. Woo Comput. Phys. Commun. 137(2001)312 |
| ADYJ_v1_0 | ALINE, an Atomic Laboratory for Interactive Numerical Experiments. Three-dimensional interactive Molecular Dynamics program for the study of defect dynamics in crystals. M. Patriarca, A. Kuronen, M. Robles, K. Kaski Comput. Phys. Commun. 176(2007)38 |
| 7.2 | Electron Spectroscopies |
| AALY_v1_0 | DLEED Calculation of elastic diffuse LEED intensities from disordered adsorbates. D.K. Saldin, J.B. Pendry Comput. Phys. Commun. 42(1986)399 |
| AARR_v1_0 | DLXANES Calculation of X-ray absorption near edge structure, XANES. P.J. Durham, J.B. Pendry, C.H. Hodges Comput. Phys. Commun. 25(1982)193 |
| AARR_v1_0 | 0001 ICXANES An update of DLXANES, the calculation of X-ray absorption near-edge structure. D.D. Vvedensky, D.K. Saldin, J.B. Pendry Comput. Phys. Commun. 40(1986)421 |
| AARU_v1_0 | EELSOV Calculation of the impact scattering contribution to electron energy loss spectra. G.C. Aers, J.B. Pendry Comput. Phys. Commun. 25(1982)389 |
| AAXA_v1_0 | TAUMOL Calculation of the renormalised electron scattering matrix of a molecule adsorbed on a crystal surface. D.K. Saldin, J.B. Pendry Comput. Phys. Commun. 46(1987)129 |
| ABHN_v1_0 | TLEED1 Tensor LEED I: a technique for high speed surface structure determination by low energy electron diffraction. TLEED1. P.J. Rous, J.B. Pendry Comput. Phys. Commun. 54(1989)137 |
| ABHO_v1_0 | TLEED2 Tensor LEED II: a technique for high speed surface structure determination by low energy electron diffraction. TLEED2. P.J. Rous, J.B. Pendry Comput. Phys. Commun. 54(1989)157 |
| ABLK_v1_0 | MIDS Electron diffraction simulation on Micro-VAX II computers with the aid of an array processor. G.Y. Fan Comput. Phys. Commun. 59(1990)429 |
| ABTI_v1_0 | HREELS of multilayers Computation of the surface electron-energy-loss spectrum in specular geometry for an arbitrary plane-stratified medium. Ph. Lambin, J.-P. Vigneron, A.A. Lucas Comput. Phys. Commun. 60(1990)351 |
| ABVB_v1_0 | CAVLEED Calculation of LEED diffracted intensities. D.J. Titterington, C.G. Kinniburgh Comput. Phys. Commun. 20(1980)237 |
| ABVB_v1_0 | 000A CORRECTION 09/01/81 Calculation of LEED diffracted intensities. (C.P.C. 20(1980)237). D.J. Titterington, C.G. Kinniburgh Comput. Phys. Commun. 22(1981)103 |
| ACBH_v1_0 | TRS TRS: a program to calculate Landau levels and direct dipole transitions in uniaxially stressed semiconductors. J. Schmitz, H.-R. Trebin, U. Rossler Comput. Phys. Commun. 66(1991)308 |
| ACBV_v1_0 | SEXIE SEXIE: a microcomputer program for the calculation of coordination shells and geometries. B. Rupp, B. Smith, J. Wong Comput. Phys. Commun. 67(1992)543 |
| ACBV_v2_0 | SEXIE 3.0 SEXIE 3.0: An updated computer program for the calculation of coordination shells and geometries. A.E. Tabor-Morris, B. Rupp Comput. Phys. Commun. 82(1994)23 |
| ACGS_v1_0 | TRSS TRSS: a new version of program TRS for a different geometry. J. Schmitz, H.-R. Trebin, U. Rossler Comput. Phys. Commun. 69(1992)369 |
| ACKE_v1_0 | LEED BY LAYERS AND PERTURBATION LEED intensity curves by the layer-by-layer method and perturbation calculation. J. Rundgren, A. Salwen Comput. Phys. Commun. 7(1974)369 |
| ACKF_v1_0 | WORK Program for calculating work functions from photoelectric data. I.F. Kerr, C.H.B. Mee Comput. Phys. Commun. 7(1974)419 |
| ACKG_v1_0 | LEED BEAM-SYMMETRIZED Symmetrization and calculation of LEED intensity patterns. J. Rundgren, A. Salwen Comput. Phys. Commun. 9(1975)312 |
| ACKR_v1_0 | ELECTRONS REFLECTED BY SURFACE A program for calculation of the reflection and transmission of electrons through a surface potential barrier. G. Malmstrom, J. Rundgren Comput. Phys. Commun. 19(1980)263 |
| ACMH_v1_0 | LEED Program for calculating LEED intensities using band structure- matching formalism. V. Hoffstein Comput. Phys. Commun. 2(1971)341 |
| ACMK_v1_0 | ICMLEED-MATRIX INVERSION Program for calculating LEED intensities based on the inelastic collision model: I. Matrix inversion method. V. Hoffstein Comput. Phys. Commun. 7(1974)50 |
| ACUF_v1_0 | EXAFS 1,2,3,4,5 Fourier analysis of EXAFS data, a self-contained Fortran program package. E. Indrea, N. Aldea Comput. Phys. Commun. 21(1980)91 |
| ACUF_v2_0 | EXAFS 11,21,31,41,51,61 Fourier anaylsis of EXAFS data a self-contained Fortran program- package, a second version. N. Aldea, E. Indrea Comput. Phys. Commun. 51(1988)451 |
| ACUF_v3_0 | EXAFS (13,23,33,43,53,63) Fourier analysis of EXAFS and XANES data: a self-contained Fortran program-package: the third version. N. Aldea, E. Indrea Comput. Phys. Commun. 60(1990)145 |
| ACZY_v1_0 | PEOVER1 Calculation of photoemission spectra for surfaces of solids. J.F.L. Hopkinson, J.B. Pendry, D.J. Titterington Comput. Phys. Commun. 19(1980)69 |
| ACZY_v1_0 | 000A CORRECTION 31/01/83 Calculation of photoemission spectra for surfaces of solids. (C.P.C. 19(1980)69). J.F.L. Hopkinson, J.B. Pendry, D.J. Titterington Comput. Phys. Commun. 29(1983)417 |
| ADHZ_v1_0 | PAD1 Computation of photo-electron and Auger-electron diffraction I: preparation of input data for the cluster calculation, PAD1. X. Chen, D.K. Saldin Comput. Phys. Commun. 112(1998)67 |
| ADIA_v1_0 | PAD2 Computation of photo-electron and Auger-electron diffraction II: multiple scattering cluster calculation, PAD2. G.R. Harp, Y. Ueda, X. Chen, D.K. Saldin Comput. Phys. Commun. 112(1998)80 |
| ADIB_v1_0 | PAD3 Computation of photo-electron and Auger-electron diffraction III: evaluation of angle-resolved intensities, PAD3. X. Chen, G.R. Harp, Y. Ueda, D.K. Saldin Comput. Phys. Commun. 112(1998)91 |
| ADIL_v1_0 | JavaFit JavaFit: a platform independent program for interactive non-linear least-squares fitting using the Levenberg-Marquardt method. A.W. Robinson Comput. Phys. Commun. 112(1998)183 |
| ADLR_v1_0 | BEEM Green's function calculation of Ballistic Electron Emission Microscopy currents (BEEM v2.1). K. Reuter, P.L. de Andres, F.J. Garcia-Vidal, D. Sestovic, F. Flores, K. Heinz Comput. Phys. Commun. 127(2000)327 |
| ADMR_v1_0 | MSPHD MSPHD: a full multiple scattering code for low energy photoelectron diffraction. R. Gunnella, F. Solal, D. Sebilleau, C.R. Natoli Comput. Phys. Commun. 132(2000)251 |
| ADNI_v1_0 | TensErLEED Fast LEED intensity calculations for surface crystallography using Tensor LEED. V. Blum, K. Heinz Comput. Phys. Commun. 134(2001)392 |
| ADOT_v1_0 | TMAT Anisotropic and anharmonic effects through the t-matrix for Low- Energy Electron Diffraction (TMAT V1.1). P.L. de Andres, D.A. King Comput. Phys. Commun. 138(2001)281 |
| ADUE_v1_0 | LEED90 A FORTRAN-90 Low-Energy Electron Diffraction program (LEED90 v1.1) Maria Blanco-Rey, Pedro de Andres, Georg Held, David A. King Comput. Phys. Commun. 161(2004)151 |
| ADUF_v1_0 | TMOL Molecular t-matrices for Low-Energy Electron Diffraction (TMOL v1.1) Maria Blanco-Rey, Pedro de Andres, Georg Held, David A. King Comput. Phys. Commun. 161(2004)166 |
| ADUY_v1_0 | RHEED Dynamical calculations for RHEED intensity oscillations Andrzej Daniluk Comput. Phys. Commun. 166(2005)123 |
| ADUY_v1_1 | RHEED_v2 An extension of the computer program for dynamical calculations of RHEED intensity oscillations. Heterostructures Andrzej Daniluk Comput. Phys. Commun. 176(2007)70 |
| ADUY_v2_0 | RHEEDGr A new version of a computer program for dynamical calculations of RHEED intensity oscillations Andrzej Daniluk, Kazimierz Skrobas Comput. Phys. Commun. 174(2006)83 |
| ADUY_v3_0 | RHEEDGR-09 Model-Driven Development for scientific computing. An upgrade of the RHEEDGr program. Andrzej Daniluk Comput. Phys. Commun. 180(2009)2394 |
| ADUY_v4_0 | RHEED1DProcess Model-Driven Development for scientific computing. Computations of RHEED intensities for a disordered surface. Part I Andrzej Daniluk Comput. Phys. Commun. 181(2010)707 |
| ADVL_v1_0 | GROWTH Kinematical calculations of RHEED intensity oscillations during the growth of thin epitaxial films Andrzej Daniluk Comput. Phys. Commun. 170(2005)265 |
| ADVL_v2_0 | GROWTHgr, GROWTH06 Multithreaded transactions in scientific computing: New versions of a computer program for kinematical calculations of RHEED intensity oscillations Marcin Brzuszek, Andrzej Daniluk Comput. Phys. Commun. 175(2006)678 |
| ADVL_v2_1 | GROWTH06_v2 Multithreaded transactions in scientific computing. The Growth06_v2 program Andrzej Daniluk Comput. Phys. Commun. 180(2009)1219 |
| ADVL_v3_0 | Growth09 Model-Driven Development for scientific computing. Computations of RHEED intensities for a disordered surface. Part II Andrzej Daniluk Comput. Phys. Commun. 181(2010)709 |
| ADVL_v4_0 | GrowthCP Cooperative and competitive concurrency in scientific computing. A full open-source upgrade of the program for dynamical calculations of RHEED intensity oscillations Andrzej Daniluk Comput. Phys. Commun. 182(2011)1389 |
| AEDH_v1_0 | yambo yambo: an ab initio tool for excited state calculations Andrea Marini, Conor Hogan, Myrta Grüning, Daniele Varsano Comput. Phys. Commun. 180(2009)1392 |
| AEEM_v1_0 | E-SpiReS Simulation of Electron Spin Resonance Spectroscopy in Diverse Environments: an Integrated Approach Mirco Zerbetto, Antonino Polimeno, Vincenzo Barone Comput. Phys. Commun. 180(2009)2680 |
| AEJT_v1_0 | MsSpec-1.0 MsSpec-1.0 : a multiple scattering package for electron spectroscopies in material science Didier Sébilleau, Calogero Natoli, Mihai Gavaza, Haifeng Zhao, Fabiana Da Pieve, Keisuke Hatada Comput. Phys. Commun. 182(2011)2567 |
| AELG_v1_0 | BerkeleyGW BerkeleyGW: A Massively Parallel Computer Package for the Calculation of the Quasiparticle and Optical Properties of Materials and Nanostructures Jack Deslippe, Georgy Samsonidze, David A. Strubbe, Manish Jain, Marvin L. Cohen, Steven G. Louie Comput. Phys. Commun. 183(2012)1269 |
| AEMC_v1_0 | CHANDRAS An effective algorithm for calculating the Chandrasekhar function A. Jablonski Comput. Phys. Commun. 183(2012)1773 |
| AEMC_v2_0 | CHANDRAS_v2 Improved algorithm for calculating the Chandrasekhar function A. Jablonski Comput. Phys. Commun. 184(2013)440 |
| 7.3 | Electronic Structure |
| AAB0_v1_0 | DATA FOR ACMD, ACME, ACMF, ACMJ Luehrmann tables. V. Hoffstein Comput. Phys. Commun. 2(1971)11 |
| AABR_v1_0 | MAGFAC A program to calculate magnetic form factors for transition metal systems. L.A. Barnes, G.S. Chandler, B.N. Figgis, D.C. Khan Comput. Phys. Commun. 36(1985)373 |
| AADF_v1_0 | SURFACE GREEN'S FUNCTION Calculation of the Green's function for a crystal surface or interface. F. Maca, M. Scheffler Comput. Phys. Commun. 38(1985)403 |
| AADF_v2_0 | SURFACE GREEN'S FUNCTION VER. 2 A new version of the program for the calculation of the Green's function for a crystal surface or interface. F. Maca, M. Scheffler Comput. Phys. Commun. 47(1987)349 |
| AADF_v3_0 | RUMPGF Surface Green's function for a rumpled crystal surface. F. Maca, M. Scheffler Comput. Phys. Commun. 51(1988)381 |
| AADF_v4_0 | fhi93g0 Green function for crystal surfaces I. B. Wenzien, J. Bormet, M. Scheffler Comput. Phys. Commun. 88(1995)230 |
| AAPC_v1_0 | GRINT Gilat-Raubenheimer method for k-space integration. A. Simunek Comput. Phys. Commun. 20(1980)349 |
| AARC_v1_0 | EBCLP Band structure calculations of cubic semiconductors on the basis of Lowdin's perturbation technique. D.R. Masovic, F. Vukajlovic Comput. Phys. Commun. 24(1981)181 |
| ABRE_v1_0 | WIEN Full-potential, linearized augmented plane wave programs for crystalline systems. P. Blaha, K. Schwarz, P. Sorantin, S.B. Trickey Comput. Phys. Commun. 59(1990)399 |
| ABRE_v2_0 | wien-speedup Improving the efficiency of FP-LAPW calculations. M. Petersen, F. Wagner, L. Hufnagel, M. Scheffler, P. Blaha, K. Schwarz Comput. Phys. Commun. 126(2000)294 |
| ABRZ_v1_0 | LKKR Layer Korringa-Kohn-Rostoker electronic structure code for bulk and interface geometries. J.M. MacLaren, S. Crampin, D.D. Vvedensky, R.C. Albers, J.B. Pendry Comput. Phys. Commun. 60(1990)365 |
| ACAB_v1_0 | CRYSTAL FIELD AND G VALUE Lanthanide crystal field fitting routine. G.E. Stedman Comput. Phys. Commun. 2(1971)191 |
| ACBC_v1_0 | LSDA1 Parameterised local spin density exchange-correlation energies and potentials for electronic structure calculations. I. Zero temperature formalism. J.M. MacLaren, D.P. Clougherty, M.E. McHenry, M.M. Donovan Comput. Phys. Commun. 66(1991)383 |
| ACID_v1_0 | CRYSTAL POTENTIALS Calculation of crystal potentials. D.A. Papaconstantopoulos, W.R. Slaughter Comput. Phys. Commun. 7(1974)207 |
| ACID_v1_0 | 000A CORRECTION 23/02/77 Calculation of crystal potentials. (C.P.C. 7(1974)207). D.A. Papaconstantopoulos, W.R. Slaughter Comput. Phys. Commun. 13(1977)225 |
| ACJD_v1_0 | Eq_of_Motion Equation of motion method for the electronic structure of disordered transition metal oxides. M.T. Michalewicz, H.B. Shore, N. Tit, J.W. Halley Comput. Phys. Commun. 71(1992)222 |
| ACKT_v1_0 | AVA A program for calculating the structure factors of liquid metals and binary liquid alloys. Md.M. Islam Comput. Phys. Commun. 23(1981)43 |
| ACKU_v1_0 | BAPAR Parametrization of the band structure of F.C.C. crystals. C. Salustri Comput. Phys. Commun. 30(1983)271 |
| ACKV_v1_0 | SPINORB Band structure calculations of cubic metals, elementary semiconductors and semiconductor compounds with spin-orbit interaction. D.R. Masovic, F.R. Vukajlovic Comput. Phys. Commun. 30(1983)207 |
| ACMD_v1_0 | SYMMETRY AND BAND STRUCTURE 1 Symmetry and band structure. I. Selection of reciprocal lattice vectors. V. Hoffstein, O. Moller Comput. Phys. Commun. 2(1971)11 |
| ACME_v1_0 | SYMMETRY AND BAND STRUCTURE 2 Symmetry and band structure. II. Storage and retrieval of group theoretical information. V. Hoffstein, O. Moller Comput. Phys. Commun. 2(1971)17 |
| ACMF_v1_0 | SYMMETRY AND BAND STRUCTURE 3 Symmetry and band structure. III. Construction of symmetrized Hamiltonian matrix. V. Hoffstein, O. Moller Comput. Phys. Commun. 2(1971)26 |
| ACMJ_v1_0 | SYMMETRIZED APW Symmetrized program for calculating energy bands and electronic structure of solids. V. Hoffstein, D.K. Ray, M. Belakhovsky Comput. Phys. Commun. 4(1972)361 |
| ACMJ_v1_0 | 0001 SYMMETRY AND BANDSTRUCTURE Symmetry and bandstructure. J.Th.M. de Hosson Comput. Phys. Commun. 10(1975)67 |
| ACNU_v1_0 | GREEN A subroutine package for computing Green's functions of relaxed surfaces by the renormalization method. J. Henk, W. Schattke Comput. Phys. Commun. 77(1993)69 |
| ACNZ_v1_0 | pi7 Quantum mechanical cluster calculations of ionic materials: the ab initio perturbed ion (version 7) program. V. Luana, A.M. Pendas, J.M. Recio, E. Francisco, M. Bermejo Comput. Phys. Commun. 77(1993)107 |
| ACNZ_v2_0 | pi7r10 Quantum mechanical cluster calculations of ionic materials: revision 10 of the ab initio perturbed ion program. M.A. Blanco, A.M. Pendas, V. Luana Comput. Phys. Commun. 103(1997)287 |
| ACPV_v1_0 | fhi93ssgf A self-consistent surface Green-function (SSGF) method for the calculation of isolated adsorbate atoms on a semi-infinite crystal. J. Bormet, B. Wenzien, M. Scheffler Comput. Phys. Commun. 79(1994)124 |
| ACTF_v1_0 | fhi93cp Simultaneous calculation of the equilibrium atomic structure and its electronic ground state using density-functional theory. R. Stumpf, M. Scheffler Comput. Phys. Commun. 79(1994)447 |
| ACTF_v2_0 | fhi96md Density-functional theory calculations for poly-atomic systems: electronic structure, static and elastic properties and ab initio molecular dynamics. M. Bockstedte, A. Kley, J. Neugebauer, M. Scheffler Comput. Phys. Commun. 107(1997)187 |
| ACXZ_v1_0 | BNDPKG BNDPKG: a package of programs for the calculation of electronic energy bands by the LCGO method. C.S. Wang, J. Callaway Comput. Phys. Commun. 14(1978)327 |
| ADAG_v1_0 | PHOTON A program for calculating photonic band structures and transmission coefficients of complex structures. P.M. Bell, J.B. Pendry, L. Martin Moreno, A.J. Ward Comput. Phys. Commun. 85(1995)306 |
| ADCW_v1_0 | fhi95force Force calculation and atomic-structure optimization for the full- potential linearized augmented plane-wave code WIEN. B. Kohler, S. Wilke, M. Scheffler, R. Kouba, C. Ambrosch-Draxl Comput. Phys. Commun. 94(1996)31 |
| ADFH_v1_0 | fderiv Generation of functional derivatives in Kohn-Sham density-functional theory. See erratum Comp. Phys. Commun. 103(1997)95. P. Jemmer, P.J. Knowles Comput. Phys. Commun. 100(1997)93 |
| 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 |
| ADHN_v1_0 | ELECTRONIC GREEN SCATTERING Electronic Green scattering with n-fold symmetry axis from block circulant matrices. A. Mayer, A. Castiaux, J.-P. Vigneron Comput. Phys. Commun. 109(1998)81 |
| ADIS_v1_0 | Talus Talus a Quantum Monte Carlo modelling suite. M.L. Stedman, W.M.C. Foulkes Comput. Phys. Commun. 113(1998)180 |
| ADKA_v1_0 | fhi98PP Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory. M. Fuchs, M. Scheffler Comput. Phys. Commun. 119(1999)67 |
| ADME_v1_0 | Ewald Accurate crystal fields for embedded cluster calculations. M. Klintenberg, S.E. Derenzo, M.J. Weber Comput. Phys. Commun. 131(2000)120 |
| ADMZ_v1_0 | Lanthanide An atomic program for energy levels of equivalent electrons: lanthanides and actinides. S. Edvardsson, D. Aberg Comput. Phys. Commun. 133(2001)396 |
| ADNP_v1_0 | pwpaw A projector augmented wave (PAW) code for electronic structure calculations, part II: pwpaw for periodic solids in a plane wave basis. A.R. Tackett, N.A.W. Holzwarth, G.E. Matthews Comput. Phys. Commun. 135(2001)348 |
| ADNQ_v1_0 | genproj A projector augmented wave (PAW) code for electronic structure calculations, part I: atompaw for generating atom-centered functions. N.A.W. Holzwarth, A.R. Tackett, G.E. Matthews Comput. Phys. Commun. 135(2001)329 |
| ADQT_v1_0 | CHS The condensation energy of the homogeneous superconducting gas. J.W. Krogh, M. Wierzbowska Comput. Phys. Commun. 150(2003)53 |
| ADQX_v1_0 | octopus octopus: a first-principles tool for excited electron-ion dynamics. M.A.L. Marques, A. Castro, G.F. Bertsch, A. Rubio Comput. Phys. Commun. 151(2003)60 |
| ADZG_v1_0 | JJGEN JJGEN: A flexible program for generating lists of jj-coupled configuration state functions L. Sturesson, P. Jönsson, C. Froese Fischer Comput. Phys. Commun. 177(2007)539 |
| ADZS_v1_0 | HFSZEEMAN HFSZEEMAN A program for computing weak and intermediate field fine and hyperfine structure Zeeman splittings from MCDHF wave functions Martin Andersson, Per Jönsson Comput. Phys. Commun. 178(2008)156 |
| AEAC_v1_0 | Atomic Pseudo-potentials Engine (APE) Generating relativistic pseudo-potentials with explicit incorporation of semi-core states using APE, the Atomic Pseudo-potentials Engine Micael J. T. Oliveira, Fernando Nogueira Comput. Phys. Commun. 178(2008)524 |
| AEAK_v1_0 | wannier90 wannier90: A Tool for Obtaining Maximally-Localised Wannier Functions Arash A. Mostofi, Jonathan R. Yates, Young-Su Lee, Ivo Souza, David Vanderbilt, Nicola Marzari Comput. Phys. Commun. 178(2008)685 |
| AEAQ_v1_0 | 3dsch/2dsch A fast and simple program for solving local Schrödinger equations in two and three dimensions S. Janecek, E. Krotscheck Comput. Phys. Commun. 178(2008)835 |
| AEBE_v1_0 | svm-2d Solution of few-body problems with the stochastic variational method II.: Two-dimensional systems Kálmán Varga Comput. Phys. Commun. 179(2008)591 |
| AEBG_v1_0 | ETSF_IO Sharing electronic structure and crystallographic data with ETSF IO D. Caliste, Y. Pouillon, M.J. Verstraete, V. Olevano, X. Gonze Comput. Phys. Commun. 179(2008)748 |
| AEBN_v1_0 | PROFESS Introducing PROFESS: a new program for orbital-free density functional theory calculations Gregory S. Ho, Vincent L. Lignères, Emily A. Carter Comput. Phys. Commun. 179(2008)839 |
| AEBN_v2_0 | PROFESS Introducing PROFESS 2.0: a parallelized, fully linear scaling program for orbital-free density functional theory calculations Linda Hung, Chen Huang, Ilgyou Shin, Gregory S. Ho, Vincent L. Lignères, Emily A. Carter Comput. Phys. Commun. 181(2010)2208 |
| AECB_v1_0 | CRITIC Critic: a new program for the topological analysis of solid-state electron densities A. Otero-de-la-Roza, M. A. Blanco, A. Martín Pendás, Víctor Luaña Comput. Phys. Commun. 180(2009)157 |
| AECK_v1_0 | Dresponse Linear response approach to collective electronic excitations of solids and surfaces Zhe Yuan, Shiwu Gao Comput. Phys. Commun. 180(2009)466 |
| AECM_v1_0 | runwien Runwien: a text-based interface for the WIEN package. A. Otero-de-la-Roza, Víctor Luaña Comput. Phys. Commun. 180(2009)800 |
| AEDF_v1_0 | SaX (Self-energies and eXcitations) SaX: An open source package for electronic-structure and optical-properties calculations in the GW approximation Layla Martin-Samos, Giovanni Bussi Comput. Phys. Commun. 180(2009)1416 |
| AEDH_v1_0 | yambo yambo: an ab initio tool for excited state calculations Andrea Marini, Conor Hogan, Myrta Grüning, Daniele Varsano Comput. Phys. Commun. 180(2009)1392 |
| AEDR_v1_0 | ndsch An arbitrary order diffusion algorithm for solving Schrödinger equations S.A. Chin, S. Janecek, E. Krotscheck Comput. Phys. Commun. 180(2009)1700 |
| AEEU_v1_0 | ABINIT ABINIT : first-principles approach to material and nanosystem properties. X. Gonze, B. Amadon, P.-M. Anglade, J.-M. Beuken, F. Bottin, P. Boulanger, F. Bruneval, D. Caliste, R. Caracas, M. Cote, T. Deutsch, L. Genovese, Ph. Ghosez, M. Giantomassi, S. Goedecker, D. Hamann, P. Hermet, F. Jollet, G. Jomard, S. Leroux, M. Mancini, S. Mazevet, M.J.T. Oliveira, G. Onida, Y. Pouillon, T. Rangel, G.-M. Rignanese, D. Sangalli, R. Shaltaf, M. Torrent, M. J. Verstraete, G. Zerah, J.W. Zwanziger Comput. Phys. Commun. 180(2009)2582 |
| AEFC_v1_0 | Plato Plato: A localised orbital based density functional theory code S.D. Kenny, A.P. Horsfield Comput. Phys. Commun. 180(2009)2616 |
| AEFC_v2_0 | PLATO Efficient self-consistency for magnetic tight binding Preetma Soin, A. P. Horsfield, D. Nguyen-Manh Comput. Phys. Commun. 182(2011)1350 |
| AEFM_v1_0 | JuNoLo JuNoLo - Jülich Non Local code for parallel post-processing evaluation of vdW-DF correlation energy Predrag Lazic, Nicolae Atodiresei, Mojtaba Alaei, Vasile Caciuc, Stefan Blügel, Radovan Brako Comput. Phys. Commun. 181(2010)371 |
| AEFW_v1_0 | ppp.x A general purpose Fortran 90 electronic structure program for conjugated systems using Pariser-Parr-Pople model Priya Sony, Alok Shukla Comput. Phys. Commun. 181(2010)821 |
| AEGI_v1_0 | NWChem NWChem: a comprehensive and scalable open-source solution for large scale molecular simulations M. Valiev, E.J. Bylaska, N. Govind, K. Kowalski, T.P. Straatsma, H.J.J. Van Dam, D. Wang, J. Nieplocha, E. Apra, T.L. Windus, W.A. de Jong Comput. Phys. Commun. 181(2010)1477 |
| AEHU_v1_0 | HDSS - (Huge Dense System Solver) Large-Scale Linear Systems Solver using Secondary Storage: Self-energy in hybrid nanostructures J.M. Badia, J.L. Movilla, J.I. Climente, M. Castillo, M. Marqués, R. Mayo, E.S. Quintana-Ortí, J. Planelles Comput. Phys. Commun. 182(2011)533 |
| AEIL_v1_0 | dmft Continuous-Time Quantum Monte Carlo Impurity Solvers Emanuel Gull, Philipp Werner, Sebastian Fuchs, Brigitte Surer, Thomas Pruschke, Matthias Troyer Comput. Phys. Commun. 182(2011)1078 |
| AEIM_v1_0 | CIF2Cell CIF2Cell: Generating geometries for electronic structure programs Torbjörn Björkman Comput. Phys. Commun. 182(2011)1183 |
| AEKF_v1_0 | SimTet An algebraic formulation and implementation of the tetrahedron linear method for the Brillouin zone integration of spectral functions S. Kaprzyk Comput. Phys. Commun. 183(2012)347 |
| AEKG_v1_0 | multiband-kp General R-matrix approach for integrating the multiband k . p equation in layered semiconductor structures A.E. Botha Comput. Phys. Commun. 183(2012)197 |
| AEKW_v1_0 | ppp_bulk.x A Fortran 90 Hartree-Fock program for one-dimensional periodic π-conjugated systems using Pariser-Parr-Pople model Kondayya Gundra, Alok Shukla Comput. Phys. Commun. 183(2012)677 |
| AELG_v1_0 | BerkeleyGW BerkeleyGW: A Massively Parallel Computer Package for the Calculation of the Quasiparticle and Optical Properties of Materials and Nanostructures Jack Deslippe, Georgy Samsonidze, David A. Strubbe, Manish Jain, Marvin L. Cohen, Steven G. Louie Comput. Phys. Commun. 183(2012)1269 |
| AEMU_v1_0 | LIBXC LIBXC: a library of exchange and correlation functionals for density functional theory Miguel A. L. Marques, Micael J. T. Oliveira, Tobias Burnus Comput. Phys. Commun. 183(2012)2272 |
| AENR_v1_0 | itp2d Imaginary time propagation code for large-scale two-dimensional eigenvalue problems in magnetic fields P.J.J. Luukko, E. Räsänen Comput. Phys. Commun. 184(2013)769 |
| AEOL_v1_0 | ct-hyb Efficient implementation of the continuous-time hybridization expansion quantum impurity solver Hartmut Hafermann, Philipp Werner, Emanuel Gull Comput. Phys. Commun. 184(2013)1280 |
| AEOU_v1_0 | WignerEisenbud Efficient Computation of Wigner-Eisenbud Functions Bahaaudin M. Raffah, Paul C. Abbott Comput. Phys. Commun. 184(2013)1581 |
| 7.4 | Experimental Analysis |
| AAGK_v1_0 | POSITRONFIT POSITRONFIT: a versatile program for analysing positron lifetime spectra. P. Kirkegaard, M. Eldrup Comput. Phys. Commun. 3(1972)240 |
| AAGX_v1_0 | POSITRONFIT EXTENDED POSITRONFIT EXTENDED: a new version of a program for analysing positron lifetime spectra. P. Kirkegaard, M. Eldrup Comput. Phys. Commun. 7(1974)401 |
| AAGZ_v1_0 | DBLCON DBLCON: a version of POSITRONFIT with non-Gaussian prompt for analysing positron lifetime spectra. W.K. Warburton Comput. Phys. Commun. 13(1977)371 |
| AAHI_v1_0 | INTERACTIVE POSITRONFIT INTERACTIVE POSITRONFIT: a new version of a program for analysing positron lifetime spectra. C.J. Virtue, R.J. Douglas, B.T.A. McKee Comput. Phys. Commun. 15(1978)97 |
| AANN_v1_0 | PATFIT Program system for analysing positron lifetime spectra and angular correlation curves. P. Kirkegaard, M. Eldrup, O.E. Mogensen, N.J. Pedersen Comput. Phys. Commun. 23(1981)307 |
| AAOS_v1_0 | GB1, GB2, GB3 A programming package for the study of high angle grain boundaries by using TEM. G.L. Bleris, Th. Karakostas, P. Delavignette Comput. Phys. Commun. 28(1983)287 |
| ABJK_v1_0 | DIANA88 Quasi-elastic x-ray scattering divergence analysis calculation. J.S. Reid, G.J. Milne Comput. Phys. Commun. 55(1989)91 |
| ABMW_v1_0 | HEQSIM2 A Fortran program to simulate quadrupole-distorted NMR powder patterns. E.D. von Meerwall Comput. Phys. Commun. 13(1977)107 |
| ABMX_v1_0 | INTHIST2 A Fortran program to collect histograms over microscopic scalar interactions. E.D. von Meerwall Comput. Phys. Commun. 13(1977)421 |
| ABNA_v1_0 | SUSCEPT2 A Fortran program for routine analysis of magnetic susceptibility data. E.D. von Meerwall Comput. Phys. Commun. 15(1978)237 |
| ACCX_v1_0 | ATSCAT Calculation of low energy atomic diffraction (LEAD) intensities. R.J. Blake Comput. Phys. Commun. 33(1984)425 |
| ACFT_v1_0 | T12FIT A Fortran program for reduction of NMR relaxation data. E.D. von Meerwall, D. Thompson Comput. Phys. Commun. 31(1984)385 |
| ACGG_v1_0 | CENTIPEDE Analysis of spectroscopic ellipsometric measurements. M.H.W. Verbruggen, J.M.M. de Nijs Comput. Phys. Commun. 69(1992)201 |
| ACJL_v1_0 | ASYMGRAD MINUIT subroutine for spectra deconvolution. C. Lamberti, S. Bordiga, G. Cerrato, C. Morterra, D. Scarano, G. Spoto, A. Zecchina Comput. Phys. Commun. 74(1993)119 |
| ACKH_v1_0 | ASYMMETRY PARAMETER IN NQR Exact computation of the Zeeman effect on nuclear quadrupole resonance profiles for powders (spin I = 3/2). Determination of the asymmetry parameter. J. Darville, A. Gerard Comput. Phys. Commun. 9(1975)173 |
| ACKI_v1_0 | EPR SPIN HAMILTONIAN PARAMETERS Program for optimal computation of EPR spin-Hamiltonian parameters for ions in tetragonal symmetry. A.S. Stefanescu Comput. Phys. Commun. 11(1976)257 |
| ACKN_v1_0 | SROCASE A program for the study of short range order of binary alloys. G.L. Bleris, Ch. Polatoglou Comput. Phys. Commun. 13(1977)49 |
| ACKX_v1_0 | PFPOSFIT PFPOSFIT: a new version of a program for analysing positron lifetime spectra with non-Gaussian prompt curve. W. Puff Comput. Phys. Commun. 30(1983)359 |
| ACKY_v1_0 | XFIT XFIT: a package for simulating and fitting X-ray powder diffraction patterns. A. Martorana, R. Gerbasi, A. Marigo, R. Zannetti Comput. Phys. Commun. 34(1984)145 |
| ACMN_v1_0 | KRONIG Numerical solution of Kramers-Kronig transforms by a Fourier method. S.J. Collocott Comput. Phys. Commun. 13(1977)203 |
| ACMN_v1_0 | 0001 TRAPZAL Adaptation: numerical solution of the Kramers-Kronig transforms by trapezoidal summation as compared to a Fourier method. S.J. Collocott, G.J. Troup Comput. Phys. Commun. 17(1979)393 |
| ACYR_v1_0 | FYINT I. A computer program for normalization and instrument correction of neutron diffraction data on non-crystalline materials to obtain the static structure factor. F.Y. Hansen Comput. Phys. Commun. 15(1978)401 |
| ACYS_v1_0 | FYPAR II. A computer program for calculation of parameters necessary for the computation of reliable pair distribution functions of non- crystalline materials from limited diffraction data. F.Y. Hansen Comput. Phys. Commun. 15(1978)417 |
| ACYT_v1_0 | PAR III. A computer program for calculation of reliable pair distribution functions of non-crystalline materials from limited diffraction data. F.Y. Hansen Comput. Phys. Commun. 15(1978)431 |
| ADBM_v1_0 | MIKROGRAF Computer modelling of grain microstructure in three dimensions. K. Lakshmi Narayan Comput. Phys. Commun. 93(1996)136 |
| ADZE_v1_0 | NIXSW Planewave Solver Solving surface structures from normal incidence x-ray standing wave data Mark Basham, Roger A. Bennett Comput. Phys. Commun. 177(2007)459 |
| AEFS_v1_0 | STOMO version 1.0 An electron tomography algorithm for reconstructing 3D morphology using surface tangents of projected scattering interfaces T.C. Petersen, S.P. Ringer Comput. Phys. Commun. 181(2010)676 |
| AEFS_v2_0 | STOMO version 2 Local electron tomography using angular variations of surface tangents: Stomo version 2 T.C. Petersen, S.P. Ringer Comput. Phys. Commun. 183(2012)698 |
| AEGG_v1_0 | LIBERI LIBERI: Library for Numerical Evaluation of Electron-Repulsion Integrals Masayuki Toyoda, Taisuke Ozaki Comput. Phys. Commun. 181(2010)1455 |
| AEIF_v1_0 | SHIML Stochastic Hyperfine Interactions Modeling Library Matthew O. Zacate, William E. Evenson Comput. Phys. Commun. 182(2011)1061 |
| AEJC_v1_0 | RHEEDsim Efficient kinematical simulation of reflection high-energy electron diffraction streak patterns for crystal surfaces Kangkang Wang, Arthur R. Smith Comput. Phys. Commun. 182(2011)2208 |
| AEMB_v1_0 | QuTiP: The Quantum Toolbox in Python QuTiP: An open-source Python framework for the dynamics of open quantum systems J.R. Johansson, P.D. Nation, Franco Nori Comput. Phys. Commun. 183(2012)1760 |
| AEMB_v2_0 | QuTiP: The Quantum Toolbox in Python QuTiP 2: A Python framework for the dynamics of open quantum systems J.R. Johansson, P.D. Nation, Franco Nori Comput. Phys. Commun. 184(2013)1234 |
| 7.6 | Neutron Scattering |
| ACIC_v1_0 | SLOW NEUTRON MULTIPLE SCATTERING Monte Carlo calculation of multiple scattering effects in thermal neutron scattering experiments. J.R.D. Copley Comput. Phys. Commun. 7(1974)289 |
| ACIC_v1_0 | 0001 SLAB GEOMETRY Monte Carlo calculation of multiple scattering effects in thermal neutron scattering experiments; modification to slab geometry. J.R.D. Copley Comput. Phys. Commun. 9(1975)59 |
| ACIC_v1_0 | 0002HORIZONTAL CYLINDER GEOMETRY Monte Carlo calculation of multiple scattering effects in thermal neutron scattering experiments; modification to horizontal cylinder geometry. J.R.D. Copley Comput. Phys. Commun. 9(1975)64 |
| ACIC_v1_0 | 0003 NEW ELSCAT SUBROUTINE Monte Carlo calculation of multiple scattering effects in thermal neutron scattering experiments: improved computation of elastic coherent scattering intensities. J.R.D. Copley Comput. Phys. Commun. 21(1981)431 |
| ACIC_v1_0 | 000ACORRECTION 11/10/79 Monte Carlo calculation of multiple scattering effects in thermal neutron scattering experiments. (C.P.C. 7(1974)289). J.R.D. Copley Comput. Phys. Commun. 20(1980)459 |
| ACIC_v1_0 | B00ACORRECTION TO 0002 11/10/79 Monte Carlo calculation of multiple scattering effects in thermal neutron scattering experiments: modification to horizontal cylinder geometry. (C.P.C. 9(1975)64). J.R.D. Copley Comput. Phys. Commun. 20(1980)459 |
| ACIC_v2_0 | MSCAT85 Improved Monte Carlo calculation of multiple scattering effects in thermal neutron scattering experiments. J.R.D. Copley, P. Verkerk, A.A. van Well, H. Fredrikze Comput. Phys. Commun. 40(1986)337 |
| ACIC_v2_0 | 0001 SPHERICAL GEOMETRY Monte Carlo calculation of multiple scattering effects in thermal neutron scattering experiments: modification to spherical geometry. J.R.D. Copley Comput. Phys. Commun. 66(1991)403 |
| ACXQ_v1_0 | FYCOOR I. A computer program for generation of a complete set of coordinates and force matrices for normal mode calculations of crystals and molecules. F.Y. Hansen Comput. Phys. Commun. 14(1978)193 |
| ACXR_v1_0 | FYFRE II. A program for computing normal modes of molecules, crystal phonon dispersion relations and structure factors for neutron inelastic scattering. F.Y. Hansen Comput. Phys. Commun. 14(1978)219 |
| ACXR_v1_0 | 000A CORRECTION 22/12/78 II. A program for computing normal modes of molecules, crystal phonon dispersion relations and structure factors for neutron inelastic scattering. (C.P.C. 14(1978)219). F.Y. Hansen Comput. Phys. Commun. 17(1979)423 |
| ACXS_v1_0 | FYADJ III. A force constant adjuster program to obtain a least squares fit to observed frequencies of molecules and crystals. F.Y. Hansen Comput. Phys. Commun. 14(1978)245 |
| ACXT_v1_0 | RESTOR 1 Computation of phonon spectrum from the cold neutron incoherent inelastic scattering by a polycrystal. T.D. Sokolovskij, L.A. Rogoschenko Comput. Phys. Commun. 13(1977)381 |
| ACYR_v1_0 | FYINT I. A computer program for normalization and instrument correction of neutron diffraction data on non-crystalline materials to obtain the static structure factor. F.Y. Hansen Comput. Phys. Commun. 15(1978)401 |
| ACYS_v1_0 | FYPAR II. A computer program for calculation of parameters necessary for the computation of reliable pair distribution functions of non- crystalline materials from limited diffraction data. F.Y. Hansen Comput. Phys. Commun. 15(1978)417 |
| ACYT_v1_0 | PAR III. A computer program for calculation of reliable pair distribution functions of non-crystalline materials from limited diffraction data. F.Y. Hansen Comput. Phys. Commun. 15(1978)431 |
| ADNF_v1_0 | FLAC Small angle scattering data analysis for dense polydisperse systems: the FLAC program. F. Carsughi, A. Giacometti, D. Gazzillo Comput. Phys. Commun. 133(2000)66 |
| ADSW_v1_0 | aCLIMAX4.0.1 ACLIMAX 4.0.1, The new version of the software for analysing and interpreting INS spectra. A.J. Ramirez-Cuesta Comput. Phys. Commun. 157(2004)226 |
| ADVC_v1_0 | LORES LORES: Low Resolution Shape Program for the Calculation of Small-Angle Scattering Profiles for Biological Macromolecules in Solution J. Khou, A Deyhim, S. Krueger, S. K. Gregurick Comput. Phys. Commun. 170(2005)186 |
| ADZP_v1_0 | MontePython MontePython: Implementing Quantum Monte Carlo using Python Jon Kristian Nilsen Comput. Phys. Commun. 177(2007)799 |
| 7.7 | Other Condensed Matter inc. Simulation of Liquids and Solids |
| AADS_v1_0 | DUMBELL DUMBELL: a program to calculate the structure and thermodynamics of a classical fluid of hard, homonuclear diatomic molecules. F. Lado Comput. Phys. Commun. 39(1986)133 |
| 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 |
| AALR_v1_0 | MCMOLDYN/H2O Computer simulation package for liquids and solids with polar interactions. I. MCMOLDYN/H2O: aqueous systems. A. Laaksonen Comput. Phys. Commun. 42(1986)271 |
| AARM_v1_0 | MDIONS Programs for the dynamic simulation of liquids and solids. II. MDIONS: rigid ions using the Ewald sum. N. Anastasiou, D. Fincham Comput. Phys. Commun. 25(1982)159 |
| AARM_v1_0 | 000A CORRECTION 09/09/82 Programs for the dynamic simulation of liquids and solids. II. MDIONS: rigid ions using the Ewald sum. (C.P.C. 25(1982)159). N. Anastasiou, D. Fincham Comput. Phys. Commun. 28(1983)323 |
| AARM_v2_0 | MDIONS (VECTORISED) Programs for the dynamic simulation of liquids and solids. II. MDIONS: rigid ions using the Ewald sum (vectorised version on the CRAY-1). D. Fincham Comput. Phys. Commun. 25(1982)177 |
| AARM_v2_0 | 000A CORRECTION 09/09/82 Programs for the dynamic simulation of liquids and solids. II. MDIONS: rigid ions using the Ewald sum (vectorised version on the CRAY-1). (C.P.C. 25(1982)177). D. Fincham Comput. Phys. Commun. 28(1983)323 |
| ABJD_v1_0 | VX A vector code for the numerical simulation of cosmic strings and flux vortices in superconductors on the ETA-10. K.J.M. Moriarty, E. Myers, C. Rebbi Comput. Phys. Commun. 54(1989)273 |
| ABRW_v1_0 | MDPYRS1 Molecular dynamics simulation program of order N for condensed matter. I. MDPYRS1: scalar pyramid, short-range interactions. Z.A. Rycerz, P.W.M. Jacobs Comput. Phys. Commun. 60(1990)53 |
| ABTP_v1_0 | MDPYRV1 Vectorized program of order N for molecular dynamics simulation of condensed matter. I. MDPYRV1: vector pyramid, short-range interactions. Z.A. Rycerz, P.W.M. Jacobs Comput. Phys. Commun. 62(1991)125 |
| ABTQ_v1_0 | MDSLAB1 Vectorized program of order N for molecular dynamics simulation of condensed matter. II. MDSLAB1: slab, short-range interactions. Z.A. Rycerz, P.W.M. Jacobs Comput. Phys. Commun. 62(1991)145 |
| ABVO_v1_0 | MDATOM Programs for the molecular dynamics simulation of liquids: I. Spherical molecules with short-ranged interactions. D. Fincham Comput. Phys. Commun. 21(1980)247 |
| ABZC_v1_0 | MDSPNL Molecular dynamics program of order N for simulation of condensed matter systems II. MDSPNL: pyramid with neighbour list, short-range interactions. Z.A. Rycerz Comput. Phys. Commun. 61(1990)361 |
| ABZD_v1_0 | SIMLYS SIMLYS: a software package for trajectory analysis of molecular dynamics simulations. P. Kruger, M. Luke, A. Szameit Comput. Phys. Commun. 62(1991)371 |
| ABZD_v2_0 | SIMLYS 2.0 SIMLYS version 2.0: A software package for trajectory analysis of molecular dynamics simulations. P. Kruger, A. Szameit Comput. Phys. Commun. 72(1992)265 |
| ABZF_v1_0 | NSCP3D C-language program for the irregular close packing of hard spheres. M. Bargiel, J. Moscinski Comput. Phys. Commun. 64(1991)183 |
| ABZG_v1_0 | MD3DLJ C-language molecular dynamics program for the simulation of Lennard- Jones particles. M. Bargiel, W. Dzwinel, J. Kitowski, J. Moscinski Comput. Phys. Commun. 64(1991)193 |
| ABZT_v1_0 | STRIP Hilbert space and structure constants of descendant fields in two- dimensional conformal theories. M. Lassig, G. Mussardo Comput. Phys. Commun. 66(1991)71 |
| ACBD_v1_0 | QPMHPC Fortran code for the cluster Monte Carlo study of the q-state Potts model on D-dimensional hypercubic lattices. L.-J. Chen, C.-K. Hu, K.-S. Mak Comput. Phys. Commun. 66(1991)377 |
| ACBN_v1_0 | GEGIO Molecular associations from ab initio pair potentials. E. Iglesias, T.L. Sordo, J.A. Sordo Comput. Phys. Commun. 67(1991)268 |
| ACKA_v1_0 | GINZBURG-LANDAU-FLUXOIDS Ginzburg-Landau fluxoids. See erratum Comp. Phys. Commun. 1(1970)291. U. Kammerer Comput. Phys. Commun. 1(1969)10 |
| ACKB_v1_0 | SYMMETRIC NEEL WALLS Symmetric Neel walls in thin magnetic films. A. Hubert Comput. Phys. Commun. 1(1970)343 |
| ACKB_v1_0 | 0001 INTERNAL IMPROVEMENTS Symmetric Neel walls in thin magnetic films. An adaptation to increase the range of convergence. A. Hubert Comput. Phys. Commun. 1(1970)468 |
| ACKP_v1_0 | TSP Simulation of thermally stimulated dipolar processes in dielectrics. A. Linkens, J. Vanderschueren, P. Parot, J. Gasiot Comput. Phys. Commun. 13(1977)411 |
| ACYN_v1_0 | USSI Simulation of ultrasonic degradation of macromolecules in solution. A. Linkens, J. Niezette, J. Vanderschueren Comput. Phys. Commun. 15(1978)375 |
| ADBE_v1_0 | N_3dim Reduced event-list on an array for many-body simulation. K. Shida, S. Yamada Comput. Phys. Commun. 86(1995)289 |
| ADBK_v1_0 | HYDROLIB HYDROLIB: a library for the evaluation of hydrodynamic interactions in colloidal suspensions. K. Hinsen Comput. Phys. Commun. 88(1995)327 |
| ADBQ_v1_0 | SERENA, Version 1.0 SERENA: a program for calculating X-ray diffuse scattering intensities from molecular dynamics trajectories. A.M. Micu, J.C. Smith Comput. Phys. Commun. 91(1995)331 |
| ADCM_v1_0 | BANDSTRAIN Interface simulation of strained and non abrupt III-V quantum wells. Part 1: band profile calculation. C. Lamberti Comput. Phys. Commun. 93(1996)53 |
| ADCN_v1_0 | PLSIMUL Interface simulation of strained and non abrupt III-V quantum wells. Part 2: energy level calculation versus experimental data. C. Lamberti Comput. Phys. Commun. 93(1996)82 |
| ADER_v1_0 | FPF Filtered propagator functional for iterative dynamics of quantum dissipative systems. E. Sim, N. Makri Comput. Phys. Commun. 99(1997)335 |
| ADJU_v1_0 | GenPol Efficient hybrid algorithm for the dynamic creation of wormlike chains in solutions, brushes, melts and glasses. M. Kroger Comput. Phys. Commun. 118(1999)278 |
| ADKS_v1_0 | Fracture An interactive simulation program for visualizing complex phenomena in solids. J. Merimaa, L.F. Perondi, K. Kaski Comput. Phys. Commun. 124(2000)60 |
| ADLT_v1_0 | Moldy Moldy: a portable molecular dynamics simulation program for serial and parallel computers. K. Refson Comput. Phys. Commun. 126(2000)310 |
| ADLW_v1_0 | M.DynaMix M.DynaMix - a scalable portable parallel MD simulation package for arbitrary molecular mixtures. A.P. Lyubartsev, A. Laaksonen Comput. Phys. Commun. 128(2000)565 |
| ADPZ_v1_0 | RLSCODE Recognition and analysis of local structure in polycrystalline configurations. I. Stankovic, M. Kroger, S. Hess Comput. Phys. Commun. 145(2002)371 |
| ADQI_v1_0 | siliconiap Optimization and parallelization of a force field for silicon using OpenMP. S. Goedecker Comput. Phys. Commun. 148(2002)124 |
| ADQX_v1_0 | octopus octopus: a first-principles tool for excited electron-ion dynamics. M.A.L. Marques, A. Castro, G.F. Bertsch, A. Rubio Comput. Phys. Commun. 151(2003)60 |
| ADRP_v1_0 | PHASECALC PHASECALC: a code for the calculation of pseudobinary phase diagrams using no adjustable parameters. D.A. Barlow Comput. Phys. Commun. 153(2003)227 |
| ADSG_v1_0 | MOLED MOLED: simulation of multilayer organic light emitting diodes. H. Houili, E. Tutis, H. Lutjens, M.N. Bussac, L. Zuppiroli Comput. Phys. Commun. 156(2003)108 |
| ADVG_v1_0 | Z Shortest multiple disconnected path for the analysis of entanglements in two-and three-dimensional polymeric systems Martin Kröger Comput. Phys. Commun. 168(2005)209 |
| ADWZ_v1_0 | bose.x A basis-set based Fortran program to solve the Gross-Pitaevskii Equation for dilute Bose gases in harmonic and anharmonic traps. Rakesh Prabhat Tiwari, Alok Shukla Comput. Phys. Commun. 174(2006)966 |
| ADXP_v1_0 | MM_PAR A general purpose parallel molecular dynamics simulation program Kwang Jin Oh, Michael L. Klein Comput. Phys. Commun. 174(2006)560 |
| ADXP_v2_0 | mm_par2.0 mm_par2.0: An object-oriented molecular dynamics simulation program parallelized using a hierarchical scheme with MPI and OPENMP Kwang Jin Oh, Ji Hoon Kang, Hun Joo Myung Comput. Phys. Commun. 183(2012)440 |
| ADYJ_v1_0 | ALINE, an Atomic Laboratory for Interactive Numerical Experiments. Three-dimensional interactive Molecular Dynamics program for the study of defect dynamics in crystals. M. Patriarca, A. Kuronen, M. Robles, K. Kaski Comput. Phys. Commun. 176(2007)38 |
| AEAO_v1_0 | HRMC version 1.0 HRMC: Hybrid Reverse Monte Carlo method with silicon and carbon potentials G. Opletal, T. C. Petersen, B. O Malley, I. K. Snook, D. G. McCulloch, I. Yarovsky Comput. Phys. Commun. 178(2008)777 |
| AEAO_v1_1 | HRMC version 1.1 HRMC_1.1: Hybrid Reverse Monte Carlo method with silicon and carbon potentials G. Opletal, T.C. Petersen, B. O'Malley, I.K. Snook, D.G. McCulloch, I. Yarovsky Comput. Phys. Commun. 182(2011)542 |
| AEAO_v2_0 | HRMC version 2.0 HRMC_2.0: Hybrid Reverse Monte Carlo method with silicon, carbon and germanium potentials G. Opletal, T.C. Petersen, I.K. Snook, S.P. Russo Comput. Phys. Commun. 184(2013)1946 |
| AEBB_v1_0 | trap.x A Fortran 90 program to solve the Hartree-Fock equations for interacting spin-½ Fermions confined in Harmonic potentials Hridis Kumar Pal, Alok Shukla Comput. Phys. Commun. 179(2008)267 |
| AECW_v1_0 | FixGFC/FixGFMD Implementation of Green's function molecular dynamics: an extension to LAMMPS Ling Ti Kong, Guido Bartels, Carlos Campañá, Colin Denniston, Martin H. Müser Comput. Phys. Commun. 180(2009)1004 |
| AECW_v1_1 | FixGFC/FixGFMD v1.12 An improved version of the Green's function molecular dynamics method Ling Ti Kong, Colin Denniston, Martin H. Müser Comput. Phys. Commun. 182(2011)540 |
| AEDD_v1_0 | FracMAP FracMAP: a user-interactive package for performing simulation and orientation-specific morphology analysis of fractal-like solid nano-agglomerates Rajan K. Chakrabarty, Mark A. Garro, Shammah Chancellor, Christopher Herald, Hans Moosmüller Comput. Phys. Commun. 180(2009)1376 |
| AEDE_v1_0 | lammps-cgpva Coding Coarse Grained Polymer Model for LAMMPS and Its Application to Polymer Crystallization Chuanfu Luo, Jens-Uwe Sommer Comput. Phys. Commun. 180(2009)1382 |
| AEGI_v1_0 | NWChem NWChem: a comprehensive and scalable open-source solution for large scale molecular simulations M. Valiev, E.J. Bylaska, N. Govind, K. Kowalski, T.P. Straatsma, H.J.J. Van Dam, D. Wang, J. Nieplocha, E. Apra, T.L. Windus, W.A. de Jong Comput. Phys. Commun. 181(2010)1477 |
| AEGX_v1_0 | XtalOpt XtalOpt: An Open-Source Evolutionary Algorithm for Crystal Structure Prediction David C. Lonie, Eva Zurek Comput. Phys. Commun. 182(2011)372 |
| AEGX_v2_0 | XtalOpt XtalOpt Version r7: An Open-Source Evolutionary Algorithm for Crystal Structure Prediction David C. Lonie, Eva Zurek Comput. Phys. Commun. 182(2011)2305 |
| AEHB_v1_0 | ElAM4.1 ElAM: A computer program for the analysis and representation of anisotropic elastic properties Arnaud Marmier, Zoe A.D. Lethbridge, Richard I. Walton, Christopher W. Smith, Stephen C. Parker, Kenneth E. Evans Comput. Phys. Commun. 181(2010)2102 |
| AEHG_v1_0 | LPMD Las Palmeras Molecular Dynamics: A Flexible and Modular Molecular Dynamics Code Sergio Davis, Claudia Loyola, Felipe González, Joaquín Peralta Comput. Phys. Commun. 181(2010)2126 |
| AEIX_v1_0 | turboTDDFT turboTDDFT - a code for the simulation of molecular spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory Osman Baris Malcioglu, Ralph Gebauer, Dario Rocca, Stefano Baroni Comput. Phys. Commun. 182(2011)1744 |
| AEJE_v1_0 | QSATS QSATS: MPI-driven quantum simulations of atomic solids at zero temperature Robert J. Hinde Comput. Phys. Commun. 182(2011)2339 |
| AEJF_v1_0 | ms2 ms2: A Molecular Simulation Tool for Thermodynamic Properties Stephan Deublein, Bernhard Eckl, Jürgen Stoll, Sergey V. Lishchuk, Gabriela Guevara-Carrion, Colin W. Glass, Thorsten Merker, Martin Bernreuther, Hans Hasse, Jadran Vrabec Comput. Phys. Commun. 182(2011)2350 |
| AEJU_v1_0 | MOLDY The MOLDY short-range molecular dynamics package G.J. Ackland, K. D'Mellow, S.L. Daraszewicz, D.J. Hepburn, M. Uhrin, K. Stratford Comput. Phys. Commun. 182(2011)2587 |
| AEKM_v1_0 | CASHEW (Coarse Approach Simulator for Hydrogen-bonding Effects in Water) A molecular dynamics implementation of the 3D Mercedes-Benz water model T. Hynninen, C. L. Dias, A. Mkrtchyan, V. Heinonen, M. Karttunen, A.S. Foster, T. Ala-Nissila Comput. Phys. Commun. 183(2012)363 |
| AEMG_v1_0 | SGFF Regularization of multi-soliton form factors in sine-Gordon model T. Pálmai Comput. Phys. Commun. 183(2012)1813 |
| AEOJ_v1_0 | NLSEmagic NLSEmagic: Nonlinear Schrödinger Equation Multidimensional Matlab-based GPU-accelerated Integrators using Compact High-order Schemes R.M. Caplan Comput. Phys. Commun. 184(2013)1250 |
| AEPC_v1_0 | HacFoam A Hybrid Atomistic-Continuum Model for Fluid Flow Using LAMMPS and OpenFOAM Ian A. Cosden, Jennifer R. Lukes Comput. Phys. Commun. 184(2013)1958 |
| AEPH_v1_0 | fix_lb_fluid Hydrodynamic Forces Implemented into LAMMPS Through a Lattice-Boltzmann Fluid F.E. Mackay, S.T.T Ollila, C. Denniston Comput. Phys. Commun. 184(2013)2021 |
| 7.8 | Structure and Lattice Dynamics |
| AADC_v1_0 | NPHZB84 Multiphonon X-ray scattering. J.S. Reid Comput. Phys. Commun. 38(1985)43 |
| AALZ_v1_0 | SPHZB86 Single-phonon X-ray scattering. J.S. Reid Comput. Phys. Commun. 42(1986)417 |
| AAOJ_v1_0 | ACOUSTIC PHONON ANISOTROPY Acoustic phonon anisotropy: phonon focusing. G.A. Northrop Comput. Phys. Commun. 28(1982)103 |
| AATG_v1_0 | CAROLINA Low temperature Gruneisen parameter of cubic ionic crystals. A. Batana, M.C. Monard, M.R. Soriano Comput. Phys. Commun. 43(1987)399 |
| 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 |
| AATZ_v1_0 | DWB87 Harmonic Debye-Waller factors for cubic materials. J.S. Reid Comput. Phys. Commun. 46(1987)141 |
| ACBM_v1_0 | FP A set of routines for efficient and accurate computation of lattice sums of 1/r**n-potentials. M. Monkenbusch Comput. Phys. Commun. 67(1991)343 |
| ACKJ_v1_0 | NORMAL COORDINATE ANALYSIS Normal coordinate analysis of crystals. J.Th.M. de Hosson Comput. Phys. Commun. 10(1975)104 |
| ACKQ_v1_0 | HEXALAT Two subroutines for calculating lattice sums and the distortion field due to a point force in hexagonal systems. W. Maysenholder Comput. Phys. Commun. 24(1981)89 |
| ACMA_v1_0 | NA CL MADELUNG FIELD The Madelung potential and electric field intensity for a sodium chloride and for a caesium chloride lattice. U. Opik, R.F. Wood Comput. Phys. Commun. 1(1970)281 |
| ACMB_v1_0 | CS CL MADELUNG FIELD The Madelung potential and electric field intensity for a sodium chloride and for a caesium chloride lattice. U. Opik, R.F. Wood Comput. Phys. Commun. 1(1970)282 |
| ACMI_v1_0 | GROUP THEORY OF LATTICE DYNAMICS Group-theoretical analysis of lattice vibrations. See erratum Comp. Phys. Commun. 4(1972)382. T.G. Worlton, J.L. Warren Comput. Phys. Commun. 3(1972)88 |
| ACMI_v1_0 | 0001 EXTERNAL MODES External modes of molecular crystals. T.G. Worlton Comput. Phys. Commun. 4(1972)249 |
| ACMI_v1_0 | 0002 IMR CALCULATION Irreducible multiplier representations. T.G. Worlton Comput. Phys. Commun. 6(1973)149 |
| ACMI_v1_0 | B00ACORRECTION TO 0002 04/08/74 Irreducible multiplier representations. (C.P.C. 6(1973)149). T.G. Worlton Comput. Phys. Commun. 8(1974)141 |
| ACMI_v2_0 | GROUP THEORY LATTICE DYNAMICS 2 Improved version of group-theoretical analysis of lattice dynamics. J.L. Warren, T.G. Worlton Comput. Phys. Commun. 8(1974)71 |
| ACMO_v1_0 | MADELUNG DERIVATIVES Calculation of the first derivatives of Madelung constants with respect to cell lengths. H.D.B. Jenkins, K.F. Pratt Comput. Phys. Commun. 13(1977)341 |
| ACMP_v1_0 | LATTICE DYNAMICS OF ZINCBLENDE Lattice dynamics of zincblende structure compounds using deformation- dipole model and rigid ion model. K. Kunc, O.H. Nielsen Comput. Phys. Commun. 16(1979)181 |
| ACMU_v1_0 | LATEN LATEN: a complete lattice energy program. H.D.B. Jenkins, K.F. Pratt Comput. Phys. Commun. 21(1980)257 |
| ACUA_v1_0 | SPACE GROUP REPRESENTATIONS Numerical calculations of the irreducible representations of space groups. N. Neto Comput. Phys. Commun. 9(1975)231 |
| ACUC_v1_0 | LATTICE DYNAMICS - SHELL MODEL Lattice dynamics of zincblende structure compounds II. Shell model. K. Kunc, O.H. Nielsen Comput. Phys. Commun. 17(1979)413 |
| ACUD_v1_0 | ADIABATIC BOND CHARGE MODEL Lattice dynamics of group IV semiconductors using an adiabatic bond charge model. O.H. Nielsen, W. Weber Comput. Phys. Commun. 18(1979)101 |
| ACUG_v1_0 | LATTICE DYNAMICS OF ZINCBLENDE Lattice dynamics of zincblende structure compounds using a deformable ion model. O.H. Nielsen, S.S. Jaswal Comput. Phys. Commun. 25(1982)269 |
| ACWY_v1_0 | KCOUL1 Coulomb coefficients for complex ionic crystals. D.C. Sutherland, W.G. Ferrier Comput. Phys. Commun. 12(1976)179 |
| ACXQ_v1_0 | FYCOOR I. A computer program for generation of a complete set of coordinates and force matrices for normal mode calculations of crystals and molecules. F.Y. Hansen Comput. Phys. Commun. 14(1978)193 |
| ACXR_v1_0 | FYFRE II. A program for computing normal modes of molecules, crystal phonon dispersion relations and structure factors for neutron inelastic scattering. F.Y. Hansen Comput. Phys. Commun. 14(1978)219 |
| ACXR_v1_0 | 000A CORRECTION 22/12/78 II. A program for computing normal modes of molecules, crystal phonon dispersion relations and structure factors for neutron inelastic scattering. (C.P.C. 14(1978)219). F.Y. Hansen Comput. Phys. Commun. 17(1979)423 |
| ACXS_v1_0 | FYADJ III. A force constant adjuster program to obtain a least squares fit to observed frequencies of molecules and crystals. F.Y. Hansen Comput. Phys. Commun. 14(1978)245 |
| ACXT_v1_0 | RESTOR 1 Computation of phonon spectrum from the cold neutron incoherent inelastic scattering by a polycrystal. T.D. Sokolovskij, L.A. Rogoschenko Comput. Phys. Commun. 13(1977)381 |
| ADAQ_v1_0 | MCFOC Phonon focussing patterns: Monte Carlo simulation of the motion of ballistic phonon beams in cubic crystals. W.M. Gancza, T. Paszkiewicz Comput. Phys. Commun. 85(1995)423 |
| ADBD_v1_0 | Indep Computation of the independent elements of the dynamical matrix. Z.W. Hendrikse, M.O. Elout, W.J.A. Maaskant Comput. Phys. Commun. 86(1995)297 |
| ADKP_v1_0 | mdprs A high performance Fortran implementation of a tight-binding molecular dynamics simulation. B. Di Martino, M. Celino, V. Rosato Comput. Phys. Commun. 120(1999)255 |
| ADON_v1_0 | SGROUP Determination of the space group and unit cell for a periodic solid. B.Z. Yanchitsky, A.N. Timoshevskii Comput. Phys. Commun. 139(2001)235 |
| ADSY_v1_0 | GIBBS GIBBS: isothermal-isobaric thermodynamics of solids from energy curves using a quasi-harmonic Debye model. A. Blanco, E. Francisco, V. Luana Comput. Phys. Commun. 158(2004)57 |
| ADUT_v1_0 | MULTEL A layer-multiple-scattering method for phononic crystals and heterostructures of such. R. Sainidou, N. Stefanou, I.E. Psarobas, A. Modinos Comput. Phys. Commun. 166(2005)197 |
| AEDP_v1_0 | PHON PHON A program to calculate phonons using the small displacement method Dario Alfè Comput. Phys. Commun. 180(2009)2622 |
| AEEU_v1_0 | ABINIT ABINIT : first-principles approach to material and nanosystem properties. X. Gonze, B. Amadon, P.-M. Anglade, J.-M. Beuken, F. Bottin, P. Boulanger, F. Bruneval, D. Caliste, R. Caracas, M. Cote, T. Deutsch, L. Genovese, Ph. Ghosez, M. Giantomassi, S. Goedecker, D. Hamann, P. Hermet, F. Jollet, G. Jomard, S. Leroux, M. Mancini, S. Mazevet, M.J.T. Oliveira, G. Onida, Y. Pouillon, T. Rangel, G.-M. Rignanese, D. Sangalli, R. Shaltaf, M. Torrent, M. J. Verstraete, G. Zerah, J.W. Zwanziger Comput. Phys. Commun. 180(2009)2582 |
| AEIA_v1_0 | edgecount Armchair or Zigzag? A tool for characterizing graphene edge Abhishek K. Singha, Evgeni S. Penev, Boris I. Yakobson Comput. Phys. Commun. 182(2011)804 |
| AEII_v1_0 | DoQO Diagonalisation of Quantum Observables on Regular Lattices and General Graphs Niall Moran, Graham Kells, Jiri Vala Comput. Phys. Commun. 182(2011)1083 |
| AEIM_v1_0 | CIF2Cell CIF2Cell: Generating geometries for electronic structure programs Torbjörn Björkman Comput. Phys. Commun. 182(2011)1183 |
| AEJB_v1_0 | FixPhonon, version 1.0 Phonon dispersion measured directly from molecular dynamics simulations Ling Ti Kong Comput. Phys. Commun. 182(2011)2201 |
| AEJI_v1_0 | Gibbs2 Gibbs2: A new version of the quasi-harmonic model code. II. Models for solid-state thermodynamics, features and implementation. A. Otero-de-la-Roza, David Abbasi-Pérez, Víctor Luaña Comput. Phys. Commun. 182(2011)2232 |
| AEKV_v1_0 | XtalComp Identifying Duplicate Crystal Structures: XtalComp, an Open-Source Solution David C. Lonie, Eva Zurek Comput. Phys. Commun. 183(2012)690 |
| AEOZ_v1_0 | EVO EVO - Evolutionary algorithm for crystal structure prediction Silvia Bahmann, Jens Kortus Comput. Phys. Commun. 184(2013)1618 |
| 7.9 | Transport Properties |
| ACIA_v1_0 | ELECTROTRANSPORT SIMULATION Simulation of chemical profiles during electrotransport. D.L. Olson, J.L. Blough, T.S. Lakshmanan, D.A. Rigney Comput. Phys. Commun. 5(1973)430 |
| ACKC_v1_0 | MUKUL A routine for calculating the form-factor and the electrical resistivity of liquid N.F.E. metals. Md.M. Islam Comput. Phys. Commun. 5(1973)299 |
| ACKT_v1_0 | AVA A program for calculating the structure factors of liquid metals and binary liquid alloys. Md.M. Islam Comput. Phys. Commun. 23(1981)43 |
| ADKI_v1_0 | KUBO Computational implementation of the Kubo formula for the static conductance: application to two-dimensional quantum dots. J.A. Verges Comput. Phys. Commun. 118(1999)71 |
| ADXU_v1_0 | BoltzTrap BoltzTraP. A code for calculating band-structure dependent quantities. Georg K. H. Madsen, David J. Singh Comput. Phys. Commun. 175(2006)67 |
| AEAU_v1_0 | CompositeMaterials Calculation of Effective Conductivity of 2D and 3D Composite Materials with Anisotropic Constituents and Different Inclusion Shapes in Mathematica José Luis Gómez-Muñoz, Julián Bravo-Castillero Comput. Phys. Commun. 179(2008)275 |
| AEJF_v1_0 | ms2 ms2: A Molecular Simulation Tool for Thermodynamic Properties Stephan Deublein, Bernhard Eckl, Jürgen Stoll, Sergey V. Lishchuk, Gabriela Guevara-Carrion, Colin W. Glass, Thorsten Merker, Martin Bernreuther, Hans Hasse, Jadran Vrabec Comput. Phys. Commun. 182(2011)2350 |
| AEJJ_v1_0 | poresizedist Pore scale definition and computation from tomography data P.M. Dupuy, P. Austin, G.W. Delaney, M.P. Schwarz Comput. Phys. Commun. 182(2011)2249 |
| AEJV_v1_0 | FPMu A Fortran program for calculating electron or hole mobility in disordered semiconductors from first-principles Zi Li, Xu Zhang, Gang Lu Comput. Phys. Commun. 182(2011)2632 |
| AEKG_v1_0 | multiband-kp General R-matrix approach for integrating the multiband k . p equation in layered semiconductor structures A.E. Botha Comput. Phys. Commun. 183(2012)197 |
| AEOU_v1_0 | WignerEisenbud Efficient Computation of Wigner-Eisenbud Functions Bahaaudin M. Raffah, Paul C. Abbott Comput. Phys. Commun. 184(2013)1581 |
| 7.10 | Collisions in Solids |
| ABFH_v1_0 | TRIDYN (VERSION 3.1) TRIDYN: binary collision simulation of atomic collisions and dynamic composition changes in solids. W. Moller, W. Eckstein, J.P. Biersack Comput. Phys. Commun. 51(1988)355 |
| ABTZ_v1_0 | ITAP Ion trajectory analysis program (ITAP). D.L. Youchison, M.D. Nahemow Comput. Phys. Commun. 64(1991)167 |
| ACHV_v1_0 | SCT89 SCT89: a computer code for atomic and molecular scattering from clean and adsorbate covered surfaces. D.E. Sanders, M.S. Stave, L.S. Perkins, A.E. DePristo Comput. Phys. Commun. 70(1992)579 |
| ADDR_v1_0 | FBWPSURF Nonreactive atom/molecule-surface scattering within the finite basis wave packet method. D. Lemoine Comput. Phys. Commun. 97(1996)331 |
| ADOF_v1_0 | ERWP Quantum wave packet approach to the Eley-Rideal reactive scattering between a gas phase atom and an adsorbate. D. Lemoine, B. Jackson Comput. Phys. Commun. 137(2001)415 |
| AEKX_v1_0 | RCE_H-like_1 Resonant Coherent Excitation of Hydrogen-like Ions Planar Channeled in a Crystal. Transition into the First Excited State A. Babaev, Yu. L. Pivovarov Comput. Phys. Commun. 183(2012)705 |
| AEOH_v1_0 | PCR A Mathematica package for calculation of planar channeling-radiation spectra of relativistic electrons channeled in a diamond-structure single crystal (quantum approach) B. Azadegan Comput. Phys. Commun. 184(2013)1064 |
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