Computer programs in physics and physical chemistry

2. Atomic Physics

2.1 Structure and Properties

ADQH RELCI (Fortran, 189696 lines).

RELCI: a program for relativistic configuration interaction calculations. S. Fritzsche, C.F. Fischer, G. Gaigalas. Subroutine required: ADCU, 94(1996)249. Distribution format: tar gzip file. 148(2002)103

ADQO ANCO(2) (Fortran, 208558 lines).

Pure spin-angular momentum coefficients for non-scalar one-particle operators in jj-coupling. G. Gaigalas, S. Fritzsche. Other version: ADOO 139(2001)263. Distribution format: tar gzip file. 148(2002)349

ADQU cshf1e (Fortran, 4754 lines).

Complex-scaled Hartree-Fock wave functions for the frozen core: A B spline approach. L.A.A. Nikolopoulos, L.B. Madsen. Distribution format: tar gzip file. 151(2003)47

2.4 Electron Scattering

ADRI MJK (Fortran, 3089 lines).

MJK: a program to calculate observable quantities in electron-atom collisions. A.N. Grum-Grzhimailo. Distribution format: gzip file. 152(2003)101

ADRZ BIX (Maple V Release 5.1, Fortran, 2824 lines).

Born total ionisation cross sections: an algebraic computing program using Maple. P.L. Bartlett, A.T. Stelbovics. Distribution format: tar gzip file. 154(2003)159

2.5 Photon Interactions

ADQV BSPCI2E (Fortran, C++, 8808 lines).

A package for the ab-initio calculation of one- and two-photon cross sections of two-electron atoms, using a CI B-splines method. L.A.A. Nikolopoulos. Distribution format: tar gzip file. 150(2003)140

ADQY DIFOFA (Fortran, 631 lines).

An implementation of atomic form factors. C. Santamarina Rios, J.J. Saborido Silva. Distribution format: tar gzip file. 151(2003)79

2.6 Other Collision Processes

ADRB SCRMTRX (Fortran, 35472 lines).

The evaluation of transition matrix elements for atomic excitations by a screened Coulomb potential. A. Orban, B. Sulik. Distribution format: tar gzip file. 151(2003)199

2.7 Wave Functions and Integrals

ADQY DIFOFA (Fortran, 631 lines).

An implementation of atomic form factors. C. Santamarina Rios, J.J. Saborido Silva. Distribution format: tar gzip file. 151(2003)79

ADRJ GREENS (C++, 29852 lines).

Relativistic wave and Green's functions for hydrogen-like ions. P. Koval, S. Fritzsche. Distribution format: tar gzip file. 152(2003)191

4. Computational Methods

4.1 Angular Momentum Coupling Coefficients

ADQP RACAH (Maple V, Release 6 and 7, 85798 lines).

Maple procedures for the coupling of angular momenta. VI. LS-jj transformations. G. Gaigalas, S. Fritzsche. Other versions: ADNM, 135(2001)219, ADOS, 139(2001)314, ADRW, 153(2003)422. Distribution format: tar gzip file. 149(2002)39

ADRM CycleCostAlgorithm, GYutsis (Java 1.2, 7823 lines).

New heuristic approach to the calculation of general recoupling coefficients. D. Van Dyck, V. Fack. Distribution format: tar gzip file. 151(2003)354

ADRW RACAH (Maple 7 and 8, 73719 lines).

Maple procedures for the coupling of angular momenta. VII. Extended and accelerated computations. S. Fritzsche, T. Inghoff, M. Tomaselli. Other versions: ADOS, 139(2001)314, ADQP, 149(2002)39. Distribution format: tar gzip file. 153(2003)422

ADSA GYutsis: VAN DYCK, FACK (Java, 9400 lines).

Gyutsis: heuristic based calculation of general recoupling coefficients. D. Van Dyck, V. Fack. Other version: ADRM, 151(2003)354. Distribution format: tar gzip file. 154(2003)219

4.3 Differential Equations

ADRE AWP.f90, v 1.0 (Fortran, 777 lines).

An effective algorithm for simulating acoustical wave propagation. H.M. Sun, J.B. Wang, J. Pan. Distribution format: gzip file. 151(2003)241

4.9 Minimization and Fitting

ADRF L1PMA (Fortran, 6636 lines).

L1PMA: a Fortran 77 package for best L1 piecewise monotonic data smoothing. I.C. Demetriou. Distribution format: zip file. 151(2003)315

4.12 Other Numerical Methods

ADRQ SINGINT (C, Fortran, 3768 lines).

SINGINT: automatic numerical integration of singular integrands. N. Kauer. Distribution format: tar gzip file. 153(2003)233

4.14 Utility

ADRG Foam++, version 2.05 (C++, 9435 lines).

Foam: a general-purpose cellular Monte Carlo event generator. S. Jadach. Other versions: ADMC, 130(2000)244, ADRL, 152(2003)55. Distribution format: tar gzip file. 152(2003)55

ADRL FoamF77, version 2.05 (Fortran, 10357 lines ).

Foam: a general-purpose cellular Monte Carlo event generator. S. Jadach. Other versions: ADMC, 130(2000)244, ADRG, 152(2003)55. Distribution format: tar gzip file. 152(2003)55

5. Computer Algebra

ADQJ FDCD (Reduce 3.6, Rlisp, 1299 lines).

A REDUCE package for finding conserved densities of systems of nonlinear difference-difference equations. M. Gao, Y. Kato, M. Ito. Distribution format: tar gzip file. 148(2002)242

ADQK RATH (Maple V R4, 8255 lines).

RATH: a Maple package for finding travelling solitary wave solutions to nonlinear evolution equations. Z. Li, Y. Liu. Distribution format: tar gzip file. 148(2002)256

ADSD RATHS (Maple V R4, 1862 lines).

A Maple package for finding exact solitary wave solutions of coupled nonlinear evolution equations. Y. Liu, Z. Li. Distribution format: tar gzip file. 155(2003)65

6. Computer Languages, Hardware and Software

6.5 Software including Parallel Algorithms

ADQZ Parallel Monte Carlo Driver (C++, 4840 lines).

Parallel Monte Carlo Driver (PMCD) - a software package for Monte Carlo simulations in parallel. B. Mendes, A. Pereira. Distribution format: zip file. 151(2003)89

7. Condensed Matter and Surface Science

7.3 Electronic Structure

ADQT CHS (Fortran, 3771 lines).

The condensation energy of the homogeneous superconducting gas. J.W. Krogh, M. Wierzbowska. Distribution format: tar gzip file. 150(2003)53

ADQX octopus (Fortran, C, bison, sh, 82269 lines ).

octopus: a first-principles tool for excited electron-ion dynamics. M.A.L. Marques, A. Castro, G.F. Bertsch, A. Rubio. Non-profit use licence required. Distribution format: tar gzip file. 151(2003)60

7.7 Other Condensed Matter, inc Simulation of Liquids and Solids

ADQI siliconiap (Fortran, 1511 lines).

Optimization and parallelization of a force field for silicon using OpenMP. S. Goedecker. Distribution format: gzip file. 148(2002)124

ADQX octopus (Fortran, C, bison, sh, 82269 lines ).

octopus: a first-principles tool for excited electron-ion dynamics. M.A.L. Marques, A. Castro, G.F. Bertsch, A. Rubio. Non-profit use licence required. Distribution format: tar gzip file. 151(2003)60

ADRP PHASECALC (C, 392 lines).

PHASECALC: a code for the calculation of pseudobinary phase diagrams using no adjustable parameters. D.A. Barlow. Distribution format: tar gzip file. 153(2003)227

10. Electrostatics and Electromagnetics

ADQM MMM2D (C, 3101 lines).

MMM2D: a fast and accurate summation method for electrostatic interactions in 2D slab geometries. A. Arnold, C. Holm. Distribution format: tar gzip file. 148(2002)327

ADRX FMMP (Fortran, C, 3179 lines).

Scalable and portable implementation of the fast multipole method on parallel computers. S. Ogata, T.J. Campbell, R.K. Kalia, A. Nakano, P. Vashishta, S. Vemparala. Distribution format: tar gzip file. 153(2003)443

11. Elementary Particle Physics

11.2 Phase Space and Event Simulation

ADQQ AcerMC version 1.0 (Fortran, 235005 lines).

The Monte Carlo event generator AcerMC version 1.0 with interfaces to PYTHIA 6.2 and HERWIG 6.3. B.P. Kersevan, E. Richter-Was. Distribution format: tar gzip file. 149(2003)142

ADQW WPHACT, version 2.0 (Fortran, 111387 lines)

Wphact 2.0: a fully massive monte carlo generator for four fermion physics at e+e- colliders. E. Accomando, A. Ballestrero, E. Maina. Other version: ADEN. Distribution format: tar gzip file. 150(2003)166

ADRH GR@PPA_4b (v1.0) (Fortran, 97911 lines).

GR@PPA_4b: a four bottom quark production event generator for pp/ppbar collisions. S. Tsuno, K. Sato, T. Abe, J. Fujimoto, T. Ishikawa, Y. Kurihara, S. Odaka, Y. Takaiwa. Subroutine required: ADNN, 135(2001)238. Distribution format: tar gzip file. 151(2003)216

ADRD eett6f v. 1.0 (Fortran, 8970 lines).

eett6f v. 1.0, a program for top quark pair production and decay into 6 fermions at linear colliders. K. Kolodziej. Distribution format: tar gzip file. 151(2003)339

11.5 Quantum Chromodynamics, Lattice Gauge Theory

ADQR micrOMEGAs (C, 43388 lines).

micr OMEGAs: a program for calculating the relic density in the MSSM. G. Belanger, F. Boudjema, A. Pukhov, A. Semenov. Distribution format: tar gzip file. 149(2002)103

ADRS GRACE/SUSY (Fortran, C, 140361 lines).

GRACE/SUSY, automatic generation of tree amplitudes in the minimal supersymmetric standard model. J. Fujimoto, T. Ishikawa, M. Jimbo, T. Kaneko, K. Kato, S. Kawabata, K. Kon, M. Kuroda, Y. Kurihara, Y. Shimizu, H. Tanaka. Distribution format: tar gzip file. 153(2003)106

ADRT rhad (Fortran, 5574 lines).

rhad: a program for the evaluation of the hadronic R-ratio in the perturbative regime of QCD. R.V. Harlander, M. Steinhauser. Distribution format: tar gzip file. 153(2003)244

ADRU RACOONWW, version 1.3 (Fortran, 44597 lines ).

RACOONWW 1.3: a Monte Carlo program for four-fermion production at e+e- colliders. A. Denner, S. Dittmaier, M. Roth, D. Wackeroth. Distribution format: tar gzip file. 153(2003)460

11.6 Phenomenological and Empirical Models and Theories

ADQL partonevolution version 1.0 (C++, 18865 lines).

Fast evolution of parton distributions. S. Weinzierl. Non-profit use licence required. Distribution format: tar gzip file. 148(2002)314

ADRV SPheno (Fortran, 59999 lines).

SPheno, a program for calculating supersymmetric spectra, SUSY particle decays and SUSY particle production at e+e- colliders. W. Porod. Distribution format: tar gzip file. 153(2003)275

11.9 Event Reconstruction and Data Analysis (except data bases)

ADRR KT++ 1.0 (C++, 3036 lines).

KtJet: a C++ implementation of the Kt clustering algorithm. J.M. Butterworth, J.P. Couchman, B.E. Cox, B.M. Waugh. Distribution format: tar gzip file. 153(2003)85

ADSB OJF-014 (Fortran 77, 27472 lines).

Optimal jet finder. D.Y. Grigoriev, E. Jankowski, F.V. Tkachov. Distribution format: tar gzip file. 155(2003)42

13. Geophysics and Atmospheric Science

ADRA Balloon (Fortran, 838 lines).

A program for the simulation and analysis of open atmospheric balloon soundings. P. Alexander, A. de la Torre. Distribution format: zip file. 151(2003)96

16. Molecular Physics and Physical Chemistry

16.4 Experimental Analysis

ADRY Glass Onion (Delphi 4.0, 59391 lines).

Photofragment image analysis using the Onion-Peeling algorithm. S. Manzhos, H.-P. Loock. Distribution format: zip file. 154(2003)76

16.7 Elastic Scattering and Energy Transfer

ADSE ARGON (Fortran 90/MPI, 4510 lines).

Ion-atom/argon - calculation of ionization cross sections by fast ion impact for neutral target atoms ranging from hydrogen to argon. D.M. McSherry, S.F.C. O'Rourke, D.S.F. Crothers. Distribution format: tar gzip file. 155(2003)144

16.12 Chemical Kinetics

ADRK GMIC++ (C++, 4226 lines).

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. Distribution format: zip file. 152(2003)208

16.13 Condensed Phase Simulations

ADSF ASEP/MD (Fortran 90, 5362 lines).

ASEP/MD: a program for the calculation of solvent effects combining QM/MM methods and the mean field approximation. I.F. Galvan, M.L. Sanchez, M.E. Martin, F.J. Olivares Del Valle, M.A. Aguilar. Non-profit use licence required. Distribution format: tar gzip file. 155(2003)244

17. Nuclear Physics

17.8 Nuclear Reaction - General

ADRC CSC_GM (Fortran, 1714 lines).

Cross section calculatons in Glauber model: I. core plus one-nucleon case. B. Abu-Ibrahim, Y. Ogawa, Y. Suzuki, I. Tanihata. Distribution format: tar gzip file. 151(2003)369

17.9 Optical Models

ADRO DOM (Fortran, 704 lines).

Dispersion relations in the nuclear optical model. J.M. Quesada, R. Capote, A. Molina, M. Lozano. Distribution format: zip file. 153(2003)97

17.11 Direct Reactions

ADRN DWEIKO (Fortran, 3161 lines).

A computer program for nuclear scattering at intermediate and high energies. C.A. Bertulani, C.M. Campbell, T. Glasmacher. Distribution format: tar gzip file. 152(2003)317

17.15 Spectroscopy - Level Scheme

ADQS TotStade (Fortran, 2919 lines).

Nuclear state density calculations: an exact recursive approach. E. Mainegra, R. Capote. Distribution format: tar gzip file. 150(2003)43

23. Statistical Physics and Thermodynamics

ADRK GMIC++ (C++, 4226 lines).

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. Distribution format: zip file. 152(2003)208