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2 Atomic Physics
2.1 Structure and Properties
AACC_v1_0 SPSS-ATOMIC Z-EXPANSION E2 PRIME
Single-particle substitution sums in the second-order Z-expansion theory of atomic energies.
M.N. Lewis
Comput. Phys. Commun. 1(1970)265
AACC_v1_0 000A CORRECTION 27/07/70
Single-particle substitution sums in the second-order Z-expansion theory of atomic energies. (C.P.C. 1(1970)265).
M.N. Lewis
Comput. Phys. Commun. 1(1970)469
AACH_v1_0 SSTR-TRANSITION GENERALIZED SUMS
Z-expansion of matrix elements of one-electron operators for many- electron atoms.
M.N. Lewis
Comput. Phys. Commun. 18(1979)109
AAFI_v1_0 HSCF
An atomic Gaussian-type orbital Roothaan-Hartree-Fock program.
S. Huzinaga, M. Klobukowski, Y. Sakai
Comput. Phys. Commun. 30(1983)311
AAHK_v1_0 CPOLAR
Energy eigenvalues and bound-bound transitions of hydrogen atoms in a magnetic field using cylindrical basis functions.
S.M. Kara
Comput. Phys. Commun. 20(1980)221
AAJD_v1_0 RPA TWO ELECTRON EIGENFUNCTION
A program to calculate the eigenfunctions of the random phase approximation for two electron systems.
M.J. Jamieson, I.H.K. Aldeen
Comput. Phys. Commun. 20(1980)213
AAKA_v1_0 SOCKITTOME 1
Relativistic and non-relativistic configuration interaction calculations for atoms having a closed core and two valence spin- orbitals.
D.R. Beck, R.N. Zare
Comput. Phys. Commun. 1(1969)113
AAKB_v1_0 HEX
Relativistic self-consistent field program for atoms and ions.
D.A. Liberman, D.T. Cromer, J.T. Waber
Comput. Phys. Commun. 2(1971)107
AAKB_v1_0 000A CORRECTION 11/08/71
Relativistic self-consistent field program for atoms and ions. (C.P. C. 2(1971)107).
D.A. Liberman, D.T. Cromer, J.T. Waber
Comput. Phys. Commun. 2(1971)471
AAKB_v1_0 000B CORRECTION 02/09/71
Relativistic self-consistent field program for atoms and ions. (C.P. C. 2(1971)107).
D.A. Liberman, D.T. Cromer, J.T. Waber
Comput. Phys. Commun. 2(1971)471
AAKB_v1_0 000CCORRECTION 18/11/74
Relativistic self-consistent field program for atoms and ions. (C.P. C. 2(1971)107).
D.A. Liberman, D.T. Cromer, J.T. Waber
Comput. Phys. Commun. 9(1975)129
AAKD_v1_0 LEVEL
Calculation of atomic energy level values.
L.J. Radziemski Jr., K.J. Fisher, D.W. Steinhaus, A.S. Goldman
Comput. Phys. Commun. 3(1972)9
AAKE_v1_0 CALOR
Wave number calculation from least-squares level values.
L.J. Radziemski Jr., K.J. Fisher, D.W. Steinhaus, A.S. Goldman
Comput. Phys. Commun. 3(1972)19
AAKG_v1_0 HERSKLZARE
A non-relativistic SCF atomic program to compute one-electron energies, total energies, and Slater integrals.
J.H. Wood, M. Boring
Comput. Phys. Commun. 7(1974)73
AAKG_v1_0 000A CORRECTION 5/09/75
A non-relativistic SCF atomic program to compute one-electron energies, total energies and Slater integrals. (C.P.C. 7(1974)73).
J.H. Wood, M. Boring
Comput. Phys. Commun. 10(1976)434
AAKM_v1_0 CIV3 A GENERAL C.I. PROGRAM
CIV3 - a general program to calculate configuration interaction wave functions and electric-dipole oscillator strengths.
A. Hibbert
Comput. Phys. Commun. 9(1975)141
AAKM_v1_0 0001 ADAPT CIV3 FOR HFS
Adaptation of CIV3 to evaluate hyperfine structure.
R. Glass, A. Hibbert
Comput. Phys. Commun. 11(1976)125
AAKM_v1_0 000A CORRECTION 26/1/76
CIV3 - a general program to calculate configuration interaction wave functions and electric-dipole oscillator strengths. (C.P.C. 9(1975)141).
A. Hibbert
Comput. Phys. Commun. 10(1976)436
AAKQ_v1_0 ATOMIC SCF HARTREE-FOCK
Self-consistent field Hartree-Fock program for atoms.
L.V. Chernysheva, N.A. Cherepkov, V. Radojevic
Comput. Phys. Commun. 11(1976)57
AAKU_v1_0 TERM
I. Generator of determinantal non-relativistic atomic states from spectroscopic notation. Computation of matrix elements.
J.J. Labarthe
Comput. Phys. Commun. 16(1979)285
AAKV_v1_0 EXCGH
II. Generator of atomic excited terms from angular considerations.
J.J. Labarthe
Comput. Phys. Commun. 16(1979)301
AAKW_v1_0 EDD
III. Analytic approximations of radial orbitals for multiconfigurational Hartree-Fock computations.
J.J. Labarthe
Comput. Phys. Commun. 16(1979)311
AAKW_v1_0 0001 QFO
IV. Approximation of numerical orbitals by Slater functions.
J.J. Labarthe
Comput. Phys. Commun. 16(1979)325
AAKZ_v1_0 ATOMIC FROZEN CORE HARTREE-FOCK
Frozen core Hartree-Fock program for atomic discrete and continuous states.
L.V. Chernysheva, N.A. Cherepkov, V. Radojevic
Comput. Phys. Commun. 18(1979)87
AAML_v1_0 GOLIATH
A nonrelativistic program for optical response in atoms using a time- dependent local density approximation.
A. Zangwill, D.A. Liberman
Comput. Phys. Commun. 32(1984)63
AAMM_v1_0 DAVID
A relativistic program for optical response in atoms using a time- dependent local density approximation.
D.A. Liberman, A. Zangwill
Comput. Phys. Commun. 32(1984)75
AANC_v1_0 MCDF
An atomic multiconfigurational Dirac-Fock package.
I.P. Grant, B.J. McKenzie, P.H. Norrington, D.F. Mayers, N.C. Pyper
Comput. Phys. Commun. 21(1980)207
AANC_v1_0 0001 CONTWV
Relativistic continuum wavefunction solver.
W.F. Perger, V. Karighattam
Comput. Phys. Commun. 66(1991)392
AANC_v2_0 CONTWVG
Continuum wavefunction solver for GRASP.
W.F. Perger, Z. Halabuka, D. Trautmann
Comput. Phys. Commun. 76(1993)250
AANC_v3_0 CONTWVSA version 1.0
Standalone relativistic continuum wavefunction solver.
M.G. Tews, W.F. Perger
Comput. Phys. Commun. 141(2001)205
AAND_v1_0 MCBP/BENA
A program to calculate transverse Breit and QED corrections to energy levels in a multi-configuration Dirac-Fock environment.
B.J. McKenzie, I.P. Grant, P.H. Norrington
Comput. Phys. Commun. 21(1980)233
AAND_v1_0 000A CORRECTION 27/04/81
A program to calculate transverse Breit and QED corrections to energy levels in a multi-configuration Dirac-Fock environment. (C.P.C. 21(1980)233).
B.J. McKenzie, I.P. Grant, P.H. Norrington
Comput. Phys. Commun. 23(1981)222
AATK_v1_0 HF86
General Hartree-Fock program.
C.F. Fischer
Comput. Phys. Commun. 43(1987)355
ABBB_v1_0 RIAS
Research in atomic structure: a configuration interaction program with relativistic corrections.
S. Fraga, M. Klobukowski, J. Muszynska, K.M.S. Saxena, J.A. Sordo, J.D. Climenhaga, P. Clark
Comput. Phys. Commun. 47(1987)159
ABBB_v1_0 000ACORRECTION 07/09/88
Research in atomic structure: a configuration interaction program with relativistic corrections. (C.P.C. 47(1987)159).
S. Fraga, M. Klobukowski, J. Muszynska, K.M.S. Saxena, J.A. Sordo, J.D. Climenhaga, P. Clark
Comput. Phys. Commun. 52(1989)445
ABFS_v1_0 HONDO VERSION 7.0
The general atomic and molecular electronic structure system HONDO: version 7.0.
M. Dupuis, J.D. Watts, H.O. Villar, G.J.B. Hurst
Comput. Phys. Commun. 52(1989)415
ABHT_v1_0 ATOMOPM
A program to compute variationally optimized effective atomic potentials.
J.D. Talman
Comput. Phys. Commun. 54(1989)85
ABHU_v1_0 DIRACATOMOPM
A program to compute variationally optimized relativistic atomic potentials.
B.A. Shadwick, J.D. Talman, M.R. Norman
Comput. Phys. Commun. 54(1989)95
ABJN_v1_0 GRASP
GRASP: a general-purpose relativistic atomic structure program. See erratum Comp. Phys. Commun. 58(1990)345.
K.G. Dyall, I.P. Grant, C.T. Johnson, F.A. Parpia, E.P. Plummer
Comput. Phys. Commun. 55(1989)425
ABZU_v1_0 MCHF_LIBRARIES
MCHF atomic structure package: support libraries and utilities.
C.F. Fischer
Comput. Phys. Commun. 64(1991)399
ABZV_v1_0 MCHF_GENCL
A program to generate configuration state lists.
C.F. Fischer, B. Liu
Comput. Phys. Commun. 64(1991)406
ABZW_v1_0 MCHF_NONH
A general program for computing angular integrals of the non- relativistic Hamiltonian with non-orthogonal orbitals.
A. Hibbert, C.F. Fischer
Comput. Phys. Commun. 64(1991)417
ABZX_v1_0 MCHF_88
A general multiconfiguration Hartree-Fock program.
C.F. Fischer
Comput. Phys. Commun. 64(1991)431
ABZY_v1_0 MCHF_BREIT
A general program for computing angular integrals of the Breit-Pauli hamiltonian.
A. Hibbert, R. Glass, C.F. Fischer
Comput. Phys. Commun. 64(1991)455
ABZZ_v1_0 MCHF_CI
A configuration interaction program.
C.F. Fischer
Comput. Phys. Commun. 64(1991)473
ACBA_v1_0 MCHF_MLTPOL
A program for performing angular integrations for transition operators.
C.F. Fischer, M.R. Godefroid, A. Hibbert
Comput. Phys. Commun. 64(1991)486
ACBB_v1_0 MCHF_LSTR AND MCHF_LSJTR
Programs for computing LS and LSJ transitions from MCHF wave functions.
C.F. Fischer, M.R. Godefroid
Comput. Phys. Commun. 64(1991)501
ACCE_v1_0 REDUCED LOCAL ENERGY FOR ATOMS
Reduced local energy for atomic Hartree-Fock wavefunctions.
F.W. King, M.K. Kelly, M.A. LeGore, M.E. Poitzsch
Comput. Phys. Commun. 32(1984)215
ACFZ_v1_0 INTERACTING CONFIGURATIONS
Determination of interacting configurations.
D. Ridder
Comput. Phys. Commun. 31(1984)423
ACHN_v1_0 ccMBPT-4t
Diagrammatic many-body perturbation expansion for atoms and moleucles. VIII. ccMBPT-4t.
D. Moncrieff, V.R. Saunders, S. Wilson
Comput. Phys. Commun. 70(1992)345
ACLA_v1_0 SPIN003
The construction of matrices of orthogonal operators for d**N configurations.
H.J. Kooy Jr
Comput. Phys. Commun. 74(1993)142
ACLD_v1_0 MCHF_AUTO
A program for computing autoionization properties.
C.F. Fischer, T. Brage
Comput. Phys. Commun. 74(1993)381
ACLE_v1_0 MCHF_HFS
A program for computing magnetic dipole and electric quadrupole hyperfine constants from MCHF wavefunctions.
P. Jonsson, C.-G. Wahlstrom, C.F. Fischer
Comput. Phys. Commun. 74(1993)399
ACLF_v1_0 MCHF_ISOTOPE
A program to compute isotope shifts in atomic spectra.
C.F. Fischer, L. Smentek-Mielczarek, N. Vaeck, G. Miecznik
Comput. Phys. Commun. 74(1993)415
ACLG_v1_0 MCHF_LSGEN
LSGEN: a program to generate configuration-state lists of LS-coupled basis functions.
L. Sturesson, C.F. Fischer
Comput. Phys. Commun. 74(1993)432
ACLO_v1_0 HYDMATEL
HYDMATEL: a code to calculate matrix elements for hydrogen-like atoms.
M.L. Sanchez, A. Lopez Pineiro
Comput. Phys. Commun. 75(1993)185
ACNG_v1_0 JJCAS
A program for generating complete active spaces for relativistic atomic structure calculations.
F.A. Parpia, W.P. Wijesundera, I.P. Grant
Comput. Phys. Commun. 76(1993)127
ACQI_v1_0 H.F.S. SELF CONSISTENT FIELD
Hartree Fock Slater self consistent field calculations.
J.P. Desclaux
Comput. Phys. Commun. 1(1970)216
ACQI_v1_0 0001 ADAPT HFS FOR MSXALPHA
An adaptation of ACQI to calculate the data for MSXALPHA program.
M. Klobukowski
Comput. Phys. Commun. 25(1982)29
ACQJ_v1_0 MULTI-CONFIGURATION HARTREE-FOCK
A multi-configuration Hartree-Fock program.
C.F. Fischer
Comput. Phys. Commun. 1(1969)151
ACRD_v1_0 BACK-GOUDSMIT
A program for computing level crossings and the Back-Goudsmit effect.
P. Violino
Comput. Phys. Commun. 4(1972)128
ACRD_v1_0 000A CORRECTION 27/1/77
A program for computing level-crossings and the Back-Goudsmit effect. (C.P.C. 4(1972)128).
P. Violino
Comput. Phys. Commun. 13(1977)137
ACRF_v1_0 MCHF72
A multi-configuration Hartree-Fock program with improved stability.
C.F. Fischer
Comput. Phys. Commun. 4(1972)107
ACRF_v1_0 000ACORRECTION 2/01/74
A multi-configuration Hartree-Fock program with improved stability. (C.P.C. 4(1972)107).
C.F. Fischer
Comput. Phys. Commun. 7(1974)236
ACRV_v1_0 MULTICONFIGURATION DIRAC-FOCK
A multiconfiguration relativistic Dirac-Fock program.
J.P. Desclaux
Comput. Phys. Commun. 9(1975)31
ACRV_v1_0 000B CORRECTION 7/12/76
A multiconfiguration relativistic Dirac-Fock program.(C.P.C. 9(1975)31).
J.P. Desclaux
Comput. Phys. Commun. 13(1977)71
ACRX_v1_0 FIXED CORE HARTREE-FOCK
A fixed core Hartree-Fock program for calculating bound and continuum orbitals.
G.N. Bates
Comput. Phys. Commun. 8(1974)220
ACRZ_v1_0 GF VALUES
Oscillator strengths from numerical MCHF radial functions.
C.F. Fischer, K.M.S. Saxena
Comput. Phys. Commun. 9(1975)381
ACRZ_v1_0 0001 QUADRUPOLE TRANSITIONS
An adaptation of ACRZ to calculate electric quadrupole oscillator strengths.
M. Godefroid
Comput. Phys. Commun. 15(1978)275
ACRZ_v1_0 A00ACORRECTION TO 0001 01/03/79
An adaptation of ACRZ to calculate electric quadrupole oscillator strengths. (C.P.C. 15(1978)275).
M. Godefroid
Comput. Phys. Commun. 17(1979)426
ACRZ_v1_0 A00BCORRECTION TO 0001 26/02/86
An adaptation of ACRZ to calculate electric quadrupole oscillator strengths. (C.P.C. 15(1978)275).
M. Godefroid
Comput. Phys. Commun. 41(1986)195
ACVM_v1_0 VACPOL
Vacuum-polarization potentials of extended nuclear charges.
V. Hnizdo
Comput. Phys. Commun. 83(1994)95
ACXF_v1_0 MBPT ORGANIZATION
Diagrammatic many-body perturbation expansion for atoms and molecules: I. General organization.
D.M. Silver
Comput. Phys. Commun. 14(1978)71
ACXG_v1_0 MBPT LADDER DIAGRAMS
Diagrammatic many-body perturbation expansion for atoms and molecules: II. Second-order and third-order ladder energies.
D.M. Silver
Comput. Phys. Commun. 14(1978)81
ACXH_v1_0 MBPT RING DIAGRAMS
Diagrammatic many-body perturbation expansion for atoms and molecules: III. Third-order ring energies.
S. Wilson
Comput. Phys. Commun. 14(1978)91
ACYA_v1_0 MCHF77
A general multi-configuration Hartree-Fock program.
C.F. Fischer
Comput. Phys. Commun. 14(1978)145
ADBZ_v1_0 HSTERM
HSTERM, a program to calculate potential curves and radial matrix elements for two-electron systems within the hyperspherical adiabatic approach.
A.G. Abrashkevich, D.G. Abrashkevich, M. Shapiro
Comput. Phys. Commun. 90(1995)311
ADCB_v1_0 CESD
A program for the complete expansion of jj-coupled symmetry functions into Slater determinants.
S. Fritzsche, I.P. Grant
Comput. Phys. Commun. 92(1995)111
ADCB_v2_0 CESD97
CESD97 - a revised version to expand jj-coupled symmetry functions into determinants.
S. Fritzsche, I.P. Grant
Comput. Phys. Commun. 103(1997)277
ADCB_v3_0 CESD99
CESD99, a new version to represent atomic wave functions in a determinant basis.
S. Fritzsche, J. Anton
Comput. Phys. Commun. 124(2000)353
ADCU_v1_0 GRASP92
GRASP92: a package for large-scale relativistic atomic structure calculations.
F.A. Parpia, C.F. Fischer, I.P. Grant
Comput. Phys. Commun. 94(1996)249
ADCU_v1_1 GRASP92
GRASP92: a package for large-scale relativistic atomic structure calculations.
F.A. Parpia, C. Froese Fischer, I.P. Grant
Comput. Phys. Commun. 175(2006)745
ADDN_v1_0 HFS92
HFS92: a program for relativistic atomic hyperfine structure calculations.
P. Jonsson, F.A. Parpia, C.F. Fischer
Comput. Phys. Commun. 96(1996)301
ADDV_v1_0 ZAP_NO
A general program for computing matrix elements in atomic structure with non-orthogonal orbitals.
O. Zatsarinny
Comput. Phys. Commun. 98(1996)235
ADDZ_v1_0 HF96
Extension of the HF program to partially filled f-subshells.
G. Gaigalas, C.F. Fischer
Comput. Phys. Commun. 98(1996)255
ADEA_v1_0 SINGLE CONFIGURATION DIRAC-FOCK
Single configuration Dirac-Fock atom code.
A.L. Ankudinov, S.I. Zabinsky, J.J. Rehr
Comput. Phys. Commun. 98(1996)359
ADEJ_v1_0 REOS
REOS, a program for relaxed-orbital oscillator strength calculations.
S. Fritzsche, C.F. Fischer
Comput. Phys. Commun. 99(1997)323
ADEJ_v2_0 REOS99
REOS99, a revised program for transition probability calculations including relativistic, correlation and relaxation effects.
S. Fritzsche, C.F. Fischer, C.Z. Dong
Comput. Phys. Commun. 124(2000)340
ADEK_v1_0 SMS92
SMS92: a program for relativistic isotope shift calculations.
P. Jonsson, C.F. Fischer
Comput. Phys. Commun. 100(1997)81
ADEK_v2_0 RIS3
RIS3: a program for relativistic isotope shift calculations
C. Nazé, E. Gaidamauskas, G. Gaigalas, M. Godefroid, P. Jönsson
Comput. Phys. Commun. 184(2013)2187
ADJZ_v1_0 RSCFHF AND RFCHF
Two-program package to calculate the ground and excited state wave functions in the Hartree-Fock-Dirac approximation.
L.V. Chernysheva, V.L. Yakhontov
Comput. Phys. Commun. 119(1999)232
ADLA_v1_0 BREIT_NO
A general program for computing angular integrals of the Breit-Pauli Hamiltonian with non-orthogonal orbitals.
O. Zatsarinny, C.F. Fischer
Comput. Phys. Commun. 124(2000)247
ADLL_v1_0 ASYMPT
ASYMPT: a program for calculating asymptotics of hyperspherical potential curves and adiabatic potentials.
A.G. Abrashkevich, I.V. Puzynin, S.I. Vinitsky
Comput. Phys. Commun. 125(2000)259
ADLY_v1_0 ATSP_MCHF version 1.00
The MCHF atomic-structure package.
C.F. Fischer
Comput. Phys. Commun. 128(2000)635
ADLY_v2_0 ATSP2K
An MCHF atomic-structure package for large-scale calculations
Charlotte Froese Fischer, Georgio Tachiev, Gediminas Gaigalas, Michel R. Godefroid
Comput. Phys. Commun. 176(2007)559
ADNA_v1_0 RCFP
Calculation of reduced coefficients and matrix elements in jj- coupling.
G. Gaigalas, S. Fritzsche
Comput. Phys. Commun. 134(2001)86
ADOK_v1_0 DFRATOM
An atomic Dirac-Fock-Roothaan program.
O. Matsuoka, Y. Watanabe
Comput. Phys. Commun. 139(2001)218
ADOO_v1_0 ANCO
Program to calculate pure angular momentum coefficients in jj- coupling.
G. Gaigalas, S. Fritzsche, I.P. Grant
Comput. Phys. Commun. 139(2001)263
ADOO_v2_0 ANCO(2)
Pure spin-angular momentum coefficients for non-scalar one-particle operators in jj-coupling.
G. Gaigalas, S. Fritzsche
Comput. Phys. Commun. 148(2002)349
ADPD_v1_0 UTILITIES
UTILITIES for the RATIP package.
S. Fritzsche
Comput. Phys. Commun. 141(2001)163
ADPD_v2_0 UTILITIES (version 2)
Revised and extended UTILITIES for the RATIP package
J. Nikkinen, S. Fritzsche, S. Heinäsmäki
Comput. Phys. Commun. 175(2006)348
ADPN_v1_0 ZEEMAN
A program for computing weak and intermediate field Zeeman splittings from MCHF wave functions.
P. Jonsson, S. Gustafsson
Comput. Phys. Commun. 144(2002)188
ADPY_v1_0 GFACTOR2001
GFACTOR2001: a program for relativistic atomic g-factor calculations.
T. Kondo
Comput. Phys. Commun. 146(2002)261
ADQH_v1_0 RELCI
RELCI: a program for relativistic configuration interaction calculations.
S. Fritzsche, C.F. Fischer, G. Gaigalas
Comput. Phys. Commun. 148(2002)103
ADQU_v1_0 cshf1e
Complex-scaled Hartree-Fock wave functions for the frozen core: A B spline approach.
L.A.A. Nikolopoulos, L.B. Madsen
Comput. Phys. Commun. 151(2003)47
ADTL_v1_0 LSJ
Spectroscopic LSJ notation for atomic levels obtained from relativistic calculations.
G. Gaigalas, T. Zalandauskas, S. Fritzsche
Comput. Phys. Commun. 157(2004)239
ADTM_v1_0 ATOTERM
A program for generating configuration state lists in many-electron atoms.
P. Bogdanovich, A. Momkauskaite
Comput. Phys. Commun. 157(2004)217
ADUQ_v1_0 DIRAC
Algebraic tools for dealing with the atomic shell model.
I. Wavefunctions and integrals for hydrogen-like ions.
Andrey Surzhykov, Peter Koval, Stephan Fritzsche
Comput. Phys. Commun. 165(2005)139
ADUQ_v2_0 DIRAC
DIRAC: A new version of computer algebra tools for studying the properties and behaviour of hydrogen-like ions.
Sean McConnell, Stephan Fritzsche, Andrey Surzhykov
Comput. Phys. Commun. 181(2010)711
ADUX_v1_0 corr2el
A program for accurate solutions of two-electron atoms
Sverker Edvardsson, Daniel Aberg, Per Uddholm
Comput. Phys. Commun. 165(2005)260
ADVR_v1_0 atmscf
Atomic Self-Consistent-Field Program by the Basis Set Expansion Method: Columbus Version
Russell M. Pitzer
Comput. Phys. Commun. 170(2005)239
ADVR_v2_0 atmscf
Changes to Atomic Self-Consistent-Field Program by the Basis Set Expansion Method: Columbus Version
Russell M. Pitzer
Comput. Phys. Commun. 183(2012)1841
ADWD_v1_0 SELECTCONF
A program of generation and selection of configurations for the configuration interaction method in atomic calculations SELECTCONF.
P. Bogdanovich, R. Karpuskiene, A. Momkauskaite
Comput. Phys. Commun. 172(2005)133
ADZH_v1_0 KANTBP
KANTBP: A program for computing energy levels, reaction matrix and radial wave functions in the coupled-channel hyperspherical adiabatic approach
O. Chuluunbaatar, A.A. Gusev, A.G. Abrashkevich, A. Amaya-Tapia, M.S. Kaschiev, S.Y. Larsen, S.I. Vinitsky
Comput. Phys. Commun. 177(2007)649
ADZH_v2_0 KANTBP
KANTBP 2.0: New version of a program for computing energy levels, reaction matrix and radial wave functions in the coupled-channel hyperspherical adiabatic approach.
O. Chuluunbaatar, A.A. Gusev, S.I. Vinitsky, A.G. Abrashkevich
Comput. Phys. Commun. 179(2008)685
ADZL_v1_0 grasp2K
The grasp2K relativistic atomic structure package
P. Jönsson, X. He, C. Froese Fischer, I.P. Grant
Comput. Phys. Commun. 177(2007)597
ADZL_v1_1 Grasp2K, version 1_1
Grasp2K Relativistic Atomic Structure Package
P. Jönsson, G. Gaigalas, J. Bieron, C. Froese Fischer, I.P. Grant
Comput. Phys. Commun. 184(2013)2197
AECC_v1_0 HFFEM
A Fast Parallel Code for Calculating Energies and Oscillator Strengths of Many-Electron Atoms at Neutron Star Magnetic Field Strengths in Adiabatic Approximation
D. Engel, M. Klews, G. Wunner
Comput. Phys. Commun. 180(2009)302
AECC_v2_0 HFFERII
A highly optimized code for calculating atomic data at neutron star magnetic field strengths using a doubly self-consistent Hartree-Fock-Roothaan method
C. Schimeczek, D. Engel, G. Wunner
Comput. Phys. Commun. 183(2012)1502
AECC_v2_1 HFFERII
A highly optimized code for calculating atomic data at neutron star magnetic field strengths using a doubly self-consistent Hartree-Fock-Roothaan method
C. Schimeczek, D. Engel, G. Wunner
Comput. Phys. Commun. 185(2014)1498
AEDV_v1_0 ODPEVP
ODPEVP: A program for computing eigenvalues and eigenfunctions and their first derivatives with respect to the parameter of the parametric self-adjoined Sturm-Liouville problem
O. Chuluunbaatar, A.A. Gusev, S.I. Vinitsky, A.G. Abrashkevich
Comput. Phys. Commun. 180(2009)1358
AEFK_v1_0 TwoElAtom-S
The two-electron atomic systems. S-states.
Evgeny Z. Liverts, Nir Barnea
Comput. Phys. Commun. 181(2010)206
AEFR_v1_0 DENSITY
Multiconfiguration electron density function for the ATSP2K-package
A. Borgoo, O. Scharf, G. Gaigalas, M. Godefroid
Comput. Phys. Commun. 181(2010)426
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
AEHY_v1_0 TwoElAtomSL(SH)
S - states of helium-like ions
Evgeny Z. Liverts, Nir Barnea
Comput. Phys. Commun. 182(2011)1790
AEHY_v2_0 TwoElAtomSL(SH)
S - states of helium-like ions
Evgeny Z. Liverts, Nir Barnea
Comput. Phys. Commun. 183(2012)844
AEIJ_v1_0 SPHF version 1.00
A B-spline Hartree-Fock program
Charlotte Froese Fischer
Comput. Phys. Commun. 182(2011)1315
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
AELX_v1_0 MH2c (MH helix curves)
MH2c: Characterization of major histocompatibility α-helices - An Information Criterion Approach
B. Hischenhuber, F. Frommlet, W. Schreiner, B. Knapp
Comput. Phys. Commun. 183(2012)1481
AEMA_v1_0 RATIP
The RATIP program for relativistic calculations of atomic transition, ionization and recombination properties
S. Fritzsche
Comput. Phys. Commun. 183(2012)1525
AEPA_v1_0 dftatom
dftatom: A robust and general Schrödinger and Dirac solver for atomic structure calculations
Ondrej Certík, John E. Pask, Jirí Vackar
Comput. Phys. Commun. 184(2013)1777
AEPU_v1_0 ThreeBSCbSSR
Three-body systems with Coulomb interaction. Bound and quasi-bound S-states.
Evgeny Z. Liverts, Nir Barnea
Comput. Phys. Commun. 184(2013)2596
AERB_v1_0 H2db
Accurate 2d finite element calculations for hydrogen in magnetic fields of arbitrary strength
C. Schimeczek, G. Wunner
Comput. Phys. Commun. 185(2014)614
AESX_v1_0 POTHEA
POTHEA: A program for computing eigenvalues and eigenfunctions and their first derivatives with respect to the parameter of the parametric self-adjoined 2D elliptic partial differential equation
A.A. Gusev, O. Chuluunbaatar, S.I. Vinitsky, A.G. Abrashkevich
Comput. Phys. Commun. 185(2014)2636
AETE_v1_0 2DLHFR
Multi-electron systems in strong magnetic fields I: The 2D Landau-Hartree-Fock-Roothaan method
C. Schimeczek, G. Wunner
Comput. Phys. Commun. 185(2014)2655
AETV_v1_0 Manteca
Multi-electron systems in strong magnetic fields II: A fixed-phase diffusion quantum Monte Carlo application based on trial functions from a Hartree-Fock-Roothaan method
S. Boblest, D. Meyer, G. Wunner
Comput. Phys. Commun. 185(2014)2992
AEVE_v1_0 QEDMOD
QEDMOD: Fortran program for calculating the model Lamb-shift operator
V. M. Shabaev, I. I. Tupitsyn, V. A. Yerokhin
Comput. Phys. Commun. 189(2015)175
AEWV_v1_0 CI-MBPT
CI-MBPT: A package of programs for relativistic atomic calculations based on a method combining configuration interaction and many-body perturbation theory
M. G. Kozlov, S. G. Porsev, M. S. Safronova, I. I. Tupitsyn
Comput. Phys. Commun. 195(2015)199
AEZK_v1_0 DBSR_HF
DBSR_HF: A B-spline Dirac-Hartree-Fock program
Oleg Zatsarinny, Charlotte Froese Fischer
Comput. Phys. Commun. 202(2016)287
AFAK_v1_0 Amp
Amp: A modular approach to machine learning in atomistic simulations
Alireza Khorshidi, Andrew Peterson
Comput. Phys. Commun. 207(2016)310
AFBA_v1_0 H2SOLV
H2SOLV: Fortran solver for diatomic molecules in explicitly correlated exponential basis
K. Pachucki, V. A. Yerokhin
Comput. Phys. Commun. 208(2016)162
AFBM_v1_0 PCTDSE
PCTDSE: A parallel Cartesian-grid-based TDSE solver for modeling laser-atom interactions
Yongsheng Fu, Jiaolong Zeng, Jianmin Yuan
Comput. Phys. Commun. 210(2016)187
2.2 Spectra
AANQ_v1_0 MQDTAC
A program for analysing the Rydberg series of highly excited discrete spectra by M.Q.D.T.
O. Robaux, M. Aymar
Comput. Phys. Commun. 25(1982)223
AAOV_v1_0 AUGER-TRANSITIONS CLASSIFICATION
Classification of Auger-transitions in LS-coupling.
D. Ridder
Comput. Phys. Commun. 28(1982)201
ABKD_v1_0 RITZ COMBINATION PRINCIPLE
Program for fitting transition energies into a level scheme according to the combination principle.
I.R. Williams
Comput. Phys. Commun. 1(1970)465
ABRV_v1_0 BREMPNT
Bremsstrahlung cross section for a point, spinless target.
A. Minter, D.A. Jenkins
Comput. Phys. Commun. 59(1990)499
ACWW_v1_0 COMPTON CROSS SECTIONS
Non-relativistic form factor program for Compton scattering of gamma rays by bound electrons.
F. Smend, M. Schumacher
Comput. Phys. Commun. 11(1976)363
ACYJ_v1_0 BREMSSTRAHLUNG INTENSITY (NR)
A program for calculating the angular distribution of nonrelativistic bremsstrahlung intensity.
A. Banuelos, F. Rodriguez-Trelles
Comput. Phys. Commun. 15(1978)125
ACYJ_v1_0 0001 BREMSSTRAHLUNG INTENSITY 2
Extension to high frequencies of a program for calculating the angular distribution of nonrelativistic bremsstrahlung.
A. Banuelos, F. Rodriguez-Trelles, L. Bilbao
Comput. Phys. Commun. 17(1979)305
ADEJ_v1_0 REOS
REOS, a program for relaxed-orbital oscillator strength calculations.
S. Fritzsche, C.F. Fischer
Comput. Phys. Commun. 99(1997)323
ADEJ_v2_0 REOS99
REOS99, a revised program for transition probability calculations including relativistic, correlation and relaxation effects.
S. Fritzsche, C.F. Fischer, C.Z. Dong
Comput. Phys. Commun. 124(2000)340
ADTK_v1_0 OPFSpectraFinder
A new algorithm for fast simulation of optical spectra generated in a nonlinear media
Vladislav Beskrovnyy, Pascal Baldi
Comput. Phys. Commun. 160(2004)204
ADUU_v1_0 ba5
A program to compute exact hydrogenic radial integrals, oscillator strengths, and Einstein coefficients, for principal quantum numbers up to n ≈ 1000.
D. Hoang-Binh
Comput. Phys. Commun. 166(2005)191
ADUU_v2_0 ba5.2
A program to compute exact hydrogenic radial integrals, oscillator strengths, Einstein coefficients and lifetimes for principal quantum numbers up to 1000.
Hoang-Binh Dy
Comput. Phys. Commun. 180(2009)2020
AEFK_v1_0 TwoElAtom-S
The two-electron atomic systems. S-states.
Evgeny Z. Liverts, Nir Barnea
Comput. Phys. Commun. 181(2010)206
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
AEHM_v1_0 LOPT
The program LOPT for least-squares optimization of energy levels
A.E. Kramida
Comput. Phys. Commun. 182(2011)419
AEHY_v1_0 TwoElAtomSL(SH)
S - states of helium-like ions
Evgeny Z. Liverts, Nir Barnea
Comput. Phys. Commun. 182(2011)1790
AEHY_v2_0 TwoElAtomSL(SH)
S - states of helium-like ions
Evgeny Z. Liverts, Nir Barnea
Comput. Phys. Commun. 183(2012)844
AEKK_v1_0 IONIS
IONIS: Approximate atomic photoionization intensities
Sami Heinäsmäki
Comput. Phys. Commun. 183(2012)431
AEKO_v1_0 assembleFermiMatrix
A general spectral method for the numerical simulation of one-dimensional interacting fermions
Christian Clason, Gregory von Winckel
Comput. Phys. Commun. 183(2012)405
AEKO_v1_1 assembleFermiMatrix
A general spectral method for the numerical simulation of one-dimensional interacting fermions
Christian Clason, Gregory von Winckel
Comput. Phys. Commun. 183(2012)1843
AEOW_v1_0 FAST: The FTS Atomic Spectrum Tool
The FTS Atomic Spectrum Tool (FAST) for rapid analysis of line spectra
M.P. Ruffoni
Comput. Phys. Commun. 184(2013)1770
AEVD_v1_0 ElecSus
ElecSus: A program to calculate the electric susceptibility of an atomic ensemble
Mark A Zentile, James Keaveney, Lee Weller, Daniel J Whiting, Charles S Adams, Ifan G Hughes.
Comput. Phys. Commun. 189(2015)162
AEWF_v1_0 MCMLMPI, IADMPI
Parallel Implementation of Inverse Adding-Doubling and Monte Carlo Multi-Layered Programs for High Performance Computing Systems with Shared and Distributed Memory
Svyatoslav Chugunov, Changying Li
Comput. Phys. Commun. 194(2015)64
AFAR_v1_0 FESTR
FESTR: Finite-Element Spectral Transfer of Radiation spectroscopic modeling and analysis code
Peter Hakel
Comput. Phys. Commun. 207(2016)415
AFBM_v1_0 PCTDSE
PCTDSE: A parallel Cartesian-grid-based TDSE solver for modeling laser-atom interactions
Yongsheng Fu, Jiaolong Zeng, Jianmin Yuan
Comput. Phys. Commun. 210(2016)187
AFBS_v1_0 Activity
Activity Computer Program for Calculating Ion Irradiation Activation
Ben Palmer
Comput. Phys. Commun. 216(2017)126
2.3 Experimental Analysis
AAED_v1_0 HOMER
A program for the extraction of radiative lifetimes from experimental beam-foil intensity decay data.
D.J.G. Irwin, A.E. Livingston
Comput. Phys. Commun. 7(1974)95
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
AAHN_v1_0 POSDIF
POSDIF: a program to compute positron diffusion and annihilation in rare gases.
R.I. Campeanu
Comput. Phys. Commun. 25(1982)433
AAKE_v1_0 CALOR
Wave number calculation from least-squares level values.
L.J. Radziemski Jr., K.J. Fisher, D.W. Steinhaus, A.S. Goldman
Comput. Phys. Commun. 3(1972)19
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
AARV_v1_0 MONIT
A spectrum data processing system.
T.P. Hult, S.P. Svensson, T.G. Andersson
Comput. Phys. Commun. 25(1982)417
ABJB_v1_0 SYNCHR88
Synchrotron radiation flux at experimental stations.
J.S. Reid
Comput. Phys. Commun. 54(1989)307
ACPU_v1_0 EMI
EMI: the counting efficiency for electron capture, electron capture- gamma and isomeric transitions.
A. Grau Carles, A. Grau Malonda, P. Grau Carles
Comput. Phys. Commun. 79(1994)115
ACPU_v2_0 EMI2
EMI2, the counting efficiency for electron capture by a KL1L2L3M model.
A. Grau Malonda, A. Grau Carles, P. Grau Carles, G. Galiano Casas
Comput. Phys. Commun. 123(1999)114
ACPU_v3_0 MICELLE
MICELLE, the micelle size effect on the LS counting efficiency
A. Grau Carles
Comput. Phys. Commun. 176(2007)305
ACQR_v1_0 SYNCHROTRON RADIATION
Spectral intensity, angular distribution and polarisation of synchrotron radiation from a monoenergetic electron.
J. Lang
Comput. Phys. Commun. 1(1970)440
ADCX_v1_0 CONTUR
CONTUR: a program for X-ray photoemission spectroscopic personal computer-based data analysis.
G. Contini, S. Turchini
Comput. Phys. Commun. 94(1996)49
ADPH_v1_0 ScatterTomo version 1.1
Software for X-ray fluorescence and scattering tomographic reconstruction.
A. Brunetti, B. Golosio
Comput. Phys. Commun. 141(2001)412
ADZO_v1_0 AdiabaticRotor
Moment distributions of clusters and molecules in the adiabatic rotor model
G. E. Ballentine, G. F. Bertsch, N. Onishi, K. Yabana
Comput. Phys. Commun. 178(2008)48
AEEC_v1_0 mqmasOPT
Optimized Multiple Quantum MAS Lineshape Simulations in Solid State NMR
William J. Brouwer, Michael C. Davis, Karl T. Mueller
Comput. Phys. Commun. 180(2009)1973
AEMP_v1_0 CASS
CASS - CFEL-ASG Software Suite
Lutz Foucar, Anton Barty, Nicola Coppola, Robert Hartmann, Peter Holl, Uwe Hoppe, Stephan Kassemeyer, Nils Kimmel, Jochen Küpper, Mirko Scholz, Simone Techert, Thomas A. White, Lothar Strüder, Joachim Ullrich
Comput. Phys. Commun. 183(2012)2207
AENN_v1_0 VSHEC
VSHEC - a Program for the Automatic Spectrum Calibration
V.B. Zlokazov, V.K. Utyonkov, Yu.S. Tsyganov
Comput. Phys. Commun. 184(2013)428
AEOW_v1_0 FAST: The FTS Atomic Spectrum Tool
The FTS Atomic Spectrum Tool (FAST) for rapid analysis of line spectra
M.P. Ruffoni
Comput. Phys. Commun. 184(2013)1770
AEVD_v1_0 ElecSus
ElecSus: A program to calculate the electric susceptibility of an atomic ensemble
Mark A Zentile, James Keaveney, Lee Weller, Daniel J Whiting, Charles S Adams, Ifan G Hughes.
Comput. Phys. Commun. 189(2015)162
2.4 Electron Scattering
AAGB_v1_0 SIMMEG
Collision strengths from reactance matrices.
H.E. Saraph
Comput. Phys. Commun. 1(1970)232
AAGH_v1_0 SCATTERING AMPLITUDES
Amplitudes for scattering of electrons by hydrogenic and alkali-like atomic systems.
D.L. Moores
Comput. Phys. Commun. 2(1971)360
AAGH_v1_0 000A CORRECTION 24/8/84
Amplitudes for scattering of electrons by hydrogenic and alkali-like atomic systems. (C.P.C. 2(1971)360).
D.L. Moores
Comput. Phys. Commun. 34(1984)224
AAGJ_v1_0 JAJOM
Fine structure cross sections from reactance matrices.
H.E. Saraph
Comput. Phys. Commun. 3(1972)256
AAGJ_v2_0 JAJOMPRE
Fine structure cross sections from reactance matrices: a more versatile development of the program JAJOM.
H.E. Saraph
Comput. Phys. Commun. 15(1978)247
AAGV_v1_0 SHIFTA
Phase shift analysis and consistency checks on electron-atom collision data.
P.F. Naccache, M.R.C. McDowell
Comput. Phys. Commun. 6(1973)77
AAGW_v1_0 POLORB
Electron impact excitation cross sections.
M.R.C. McDowell, L. Morgan, V.P. Myerscough
Comput. Phys. Commun. 7(1974)38
AAHA_v1_0 RMATRX STG1
A general program to calculate atomic continuum processes using the R- matrix method.
K.A. Berrington, P.G. Burke, J.J. Chang, A.T. Chivers, W.D. Robb, K.T. Taylor
Comput. Phys. Commun. 8(1974)149
AAHB_v1_0 RMATRX STG2
A general program to calculate atomic continuum processes using the R- matrix method.
K.A. Berrington, P.G. Burke, J.J. Chang, A.T. Chivers, W.D. Robb, K.T. Taylor
Comput. Phys. Commun. 8(1974)149
AAHC_v1_0 RMATRX STG3
A general program to calculate atomic continuum processes using the R- matrix method.
K.A. Berrington, P.G. Burke, J.J. Chang, A.T. Chivers, W.D. Robb, K.T. Taylor
Comput. Phys. Commun. 8(1974)149
AAHF_v1_0 A NEW VERSION OF RMATRX STG1
A new version of the general program to calculate atomic continuum processes using the R-matrix method.
K.A. Berrington, P.G. Burke, M. Le Dourneuf, W.D. Robb, K.T. Taylor, V.K. Lan
Comput. Phys. Commun. 14(1978)367
AAHG_v1_0 A NEW VERSION OF RMATRX STG2
A new version of the general program to calculate atomic continuum processes using the R-matrix method.
K.A. Berrington, P.G. Burke, M. Le Dourneuf, W.D. Robb, K.T. Taylor, V.K. Lan
Comput. Phys. Commun. 14(1978)367
AAHH_v1_0 A NEW VERSION OF RMATRX STG3
A new version of the general program to calculate atomic continuum processes using the R-matrix method.
K.A. Berrington, P.G. Burke, M. Le Dourneuf, W.D. Robb, K.T. Taylor, V.K. Lan
Comput. Phys. Commun. 14(1978)367
AAHH_v1_0 0001 R-MATRIX POLARIZABILITIES
R-matrix dynamic dipole polarizabilities.
P. Shorer
Comput. Phys. Commun. 22(1981)467
AAIA_v1_0 ATOMNP
A computer program for the calculation of electron scattering and photoionization cross sections of atomic systems with configuration (np)q. See erratum Comp. Phys. Commun. 1(1970)470.
M.J. Conneely, L. Lipsky, K. Smith, P.G. Burke, R.J.W. Henry
Comput. Phys. Commun. 1(1970)306
AAJA_v1_0 ASYPCK
ASYPCK: a program for calculating asymptotic solutions of the coupled equations of electron collision theory.
M.A. Crees
Comput. Phys. Commun. 19(1980)103
AAJA_v2_0 ASYPCK2
ASYPCK2, an extended version of ASYPCK.
M.A. Crees
Comput. Phys. Commun. 23(1981)181
AAJA_v3_0 ASYSLIM
A streamlined version of ASYPCK2, an extended version of ASYPCK.
M.A. Crees
Comput. Phys. Commun. 23(1981)181
AAJB_v1_0 ASYPRO
Preprocessor for ASYPCK: a program for calculating asymptotic solutions of the coupled equations of electron collision theory.
M.A. Crees
Comput. Phys. Commun. 19(1980)103
AAJB_v2_0 ASYPRO2
Preprocessor for ASYPCK2, an extended version of ASYPCK.
M.A. Crees
Comput. Phys. Commun. 23(1981)181
AAJG_v1_0 NIEM POTC1
A general program to calculate atomic continuum processes using the NIEM method.
R.J.W. Henry, S.P. Rountree, E.R. Smith
Comput. Phys. Commun. 23(1981)233
AAJH_v1_0 NIEM NIES2
A general program to calculate atomic continuum processes using the NIEM method.
R.J.W. Henry, S.P. Rountree, E.R. Smith
Comput. Phys. Commun. 23(1981)233
AAJI_v1_0 NIEM ASYM3
A general program to calculate atomic continuum processes using the NIEM method.
R.J.W. Henry, S.P. Rountree, E.R. Smith
Comput. Phys. Commun. 23(1981)233
AAKY_v1_0 LSTOIC
Intermediate coupling collision strengths from LS coupled R-matrix elements.
R.E.H. Clark
Comput. Phys. Commun. 16(1978)119
AALF_v1_0 RECREM
Recurrence relations for Coulomb excitation electric multipole radial matrix elements.
L.D. Tolsma
Comput. Phys. Commun. 41(1986)41
AANP_v1_0 SEPDE
A non-iterative method for solving PDE's arising in electron scattering.
E.C. Sullivan, A. Temkin
Comput. Phys. Commun. 25(1982)97
AANR_v1_0 RMATRX STG1R
A general program to calculate atomic continuum processes incorporating model potentials and the Breit-Pauli Hamiltonian within the R-matrix method.
N.S. Scott, K.T. Taylor
Comput. Phys. Commun. 25(1982)347
AANS_v1_0 RMATRX STG2R
A general program to calculate atomic continuum processes incorporating model potentials and the Breit-Pauli Hamiltonian within the R-matrix method.
N.S. Scott, K.T. Taylor
Comput. Phys. Commun. 25(1982)347
AANT_v1_0 RMATRX RECUP
A general program to calculate atomic continuum processes incorporating model potentials and the Breit-Pauli Hamiltonian within the R-matrix method.
N.S. Scott, K.T. Taylor
Comput. Phys. Commun. 25(1982)347
AANU_v1_0 RMATRX RECUD
A general program to calculate atomic continuum processes incorporating model potentials and the Breit-Pauli Hamiltonian within the R-matrix method.
N.S. Scott, K.T. Taylor
Comput. Phys. Commun. 25(1982)347
AANV_v1_0 RMATRX STG3R
A general program to calculate atomic continuum processes incorporating model potentials and the Breit-Pauli Hamiltonian within the R-matrix method.
N.S. Scott, K.T. Taylor
Comput. Phys. Commun. 25(1982)347
AANW_v1_0 MOMTRANF
A new program to calculate differential and total cross sections for electron-atom or ion scattering using the momentum transfer formalism.
S.A. Salvini
Comput. Phys. Commun. 27(1982)25
AANW_v1_0 000ACORRECTION 26/09/88
A new program to calculate differential and total cross sections for electron-atom or ion scattering using the momentum transfer formalism. (C.P.C. 27(1982)25).
S.A. Salvini
Comput. Phys. Commun. 52(1988)165
AAXK_v1_0 BETRT
A procedure to evaluate the cross section for electron-hydrogen collisions in the Bethe approximation to the reactance matrix.
A. Burgess, C.T. Whelan
Comput. Phys. Commun. 47(1987)295
ABRP_v1_0 CEFEUSK
K-matrix calculation for general nonlocal potentials.
J. Horacek, J. Bok
Comput. Phys. Commun. 59(1990)319
ACCT_v1_0 CFASYM
CFASYM: a program for the calculation of the asymptotic solutions of the coupled equations of electron collision theory.
C.J. Noble, R.K. Nesbet
Comput. Phys. Commun. 33(1984)399
ACDU_v1_0 SKEW
SKEW: program for calculation of electron scattering amplitudes on atomic potential using spin-orbit relativistic correction.
E. Pilipczuk, I. Pilipczuk
Comput. Phys. Commun. 36(1985)101
ACFE_v1_0 SCATTAMPREL
Amplitudes for scattering of electrons by atomic systems including relativistic effects.
K. Bartschat, N.S. Scott
Comput. Phys. Commun. 30(1983)369
ACFF_v1_0 OBSERVABLES
Program to calculate observable quantities from scattering amplitudes for inelastic electron-atom collisions.
K. Bartschat
Comput. Phys. Commun. 30(1983)383
ACGP_v1_0 RMATRX NX
A new no-exchange R-matrix program.
V.M. Burke, P.G. Burke, N.S. Scott
Comput. Phys. Commun. 69(1992)76
ACJX_v1_0 PWASCH AND PWADIR
Elastic scattering of electrons and positrons by atoms. Schrodinger and Dirac partial wave analysis.
F. Salvat, R. Mayol
Comput. Phys. Commun. 74(1993)358
ACLH_v1_0 AVTMAT
Averaging of pseudoresonant T-matrix elements.
T.T. Scholz
Comput. Phys. Commun. 74(1993)256
ACLN_v1_0 RMATRX-ION
RMATRX-ION: a program to calculate electron and positron impact ionization within the R-matrix method.
K. Bartschat
Comput. Phys. Commun. 75(1993)219
ACQE_v1_0 ASYM
Asymptotic solution of coupled equations for electron scattering.
D.W. Norcross
Comput. Phys. Commun. 1(1969)88
ACQX_v1_0 A SCAT
A program for calculating relativistic elastic electron-atom collision data.
A.C. Yates
Comput. Phys. Commun. 2(1971)175
ACRK_v1_0 ASYM VERSION FOR ICL 1900
A new version of the program to compute the asymptotic solution of coupled equations for electron scattering.
A.T. Chivers
Comput. Phys. Commun. 5(1973)416
ACVN_v1_0 ALKALI-OBSERVABLES
Electron scattering from quasi one-electron targets: experimental observables versus theoretical scattering amplitudes.
K. Bartschat, N. Andersen
Comput. Phys. Commun. 84(1994)335
ACVT_v1_0 FARM GUI
GRACE: the problem specification stage II.
N.S. Scott, J. Johnston, V.M. Burke, C.J. Noble, D.W. Busby
Comput. Phys. Commun. 84(1994)317
ACYD_v1_0 LAG 1
A program for calculating elastic scattering phase shifts for an electron colliding with a one-electron target using perturbation theory.
E. McGreevy, A.L. Stewart
Comput. Phys. Commun. 14(1978)99
ACYE_v1_0 IMPACT
IMPACT: a program for the solution of the coupled integro- differential equations of electron-atom collision theory.
M.A. Crees, M.J. Seaton, P.M.H. Wilson
Comput. Phys. Commun. 15(1978)23
ACYF_v1_0 IMPPRO
Preprocessor for IMPACT: a program for the solution of the coupled integro-differential equations of electron-atom collision theory.
M.A. Crees, M.J. Seaton, P.M.H. Wilson
Comput. Phys. Commun. 15(1978)23
ACYF_v1_0 0001ADAPT IMPPRO FOR ECSIMPACT
Preprocessor for ECSIMPACT: a special version of program IMPACT for CDC machines with ex-core memory.
H.E. Saraph
Comput. Phys. Commun. 18(1979)287
ACZK_v1_0 ECSIMPACT
ECSIMPACT: a special version of program IMPACT for CDC machines with ex-core memory.
T.M. Luke, H.E. Saraph
Comput. Phys. Commun. 18(1979)287
ADAW_v1_0 MET_cross
The multichannel eikonal theory program for electron-atom scattering.
E.J. Mansky, M.R. Flannery
Comput. Phys. Commun. 88(1995)249
ADAX_v1_0 Vij
Automatic generation of analytical matrix elements for electron-atom scattering.
E.J. Mansky, M.R. Flannery
Comput. Phys. Commun. 88(1995)278
ADAY_v1_0 MET_states
The multichannel eikonal theory program for electron-atom scattering.
E.J. Mansky, M.R. Flannery
Comput. Phys. Commun. 88(1995)249
ADAZ_v1_0 FARM
FARM: a flexible asymptotic R-matrix package.
V.M. Burke, C.J. Noble
Comput. Phys. Commun. 85(1995)471
ADAZ_v1_1 FARM_2DRMP
FARM_2DRMP: a version of FARM for use with 2DRMP
V.M. Burke, C.J. Noble, V. Faro-Maza, A. Maniopoulou, N.S. Scott
Comput. Phys. Commun. 180(2009)2450
ADBZ_v1_0 HSTERM
HSTERM, a program to calculate potential curves and radial matrix elements for two-electron systems within the hyperspherical adiabatic approach.
A.G. Abrashkevich, D.G. Abrashkevich, M. Shapiro
Comput. Phys. Commun. 90(1995)311
ADCP_v1_0 RMATRX1
RMATRX1: Belfast atomic R-matrix codes.
K.A. Berrington, W.B. Eissner, P.H. Norrington
Comput. Phys. Commun. 92(1995)290
ADJC_v1_0 QB
The QB program: analysing resonances using R-matrix theory.
L. Quigley, K.A. Berrington, J. Pelan
Comput. Phys. Commun. 114(1998)225
ADJE_v1_0 VisRes 2.00
VisRes: a GRACE tool for displaying and analysing resonances.
D.W. Busby, P.G. Burke, V.M. Burke, C.J. Noble, N.S. Scott
Comput. Phys. Commun. 114(1998)243
ADJG_v1_0 UCLDW
The UCL distorted wave code.
W. Eissner
Comput. Phys. Commun. 114(1998)295
ADJH_v1_0 Elastic, Green-pot
Elastic - elastic scattering of electrons from ions and atoms.
D.R. Schultz, C.O. Reinhold
Comput. Phys. Commun. 114(1998)342
ADKU_v1_0 CHARGE_CLOUD_MOVIES
Simulation of collisionally excited atomic states.
D. Loveall, M.B. Hamley, B.J. Miller, K. Bartschat
Comput. Phys. Commun. 124(2000)90
ADLL_v1_0 ASYMPT
ASYMPT: a program for calculating asymptotics of hyperspherical potential curves and adiabatic potentials.
A.G. Abrashkevich, I.V. Puzynin, S.I. Vinitsky
Comput. Phys. Commun. 125(2000)259
ADMM_v1_0 HBrowse 2.00
HBrowse: a GRACE tool for browsing R-matrix H-files.
D.W. Busby, P.G. Burke, V.M. Burke, C.J. Noble, N.S. Scott, I.T.A. Spence
Comput. Phys. Commun. 131(2000)202
ADPV_v1_0 GTOBAS
GTOBAS: fitting continuum functions with Gaussian-type orbitals.
A. Faure, J.D. Gorfinkiel, L.A. Morgan, J. Tennyson
Comput. Phys. Commun. 144(2002)224
ADPW_v1_0 NUMCBAS
GTOBAS: fitting continuum functions with Gaussian-type orbitals.
A. Faure, J.D. Gorfinkiel, L.A. Morgan, J. Tennyson
Comput. Phys. Commun. 144(2002)224
ADRI_v1_0 MJK
MJK: a program to calculate observable quantities in electron-atom collisions.
A.N. Grum-Grzhimailo
Comput. Phys. Commun. 152(2003)101
ADRZ_v1_0 BIX
Born total ionisation cross sections: an algebraic computing program using Maple.
P.L. Bartlett, A.T. Stelbovics
Comput. Phys. Commun. 154(2003)159
ADUS_v1_0 ELSEPA
ELSEPA-Dirac partial-wave calculation of elastic scattering of electrons and positrons by atoms, positive ions and molecules.
Francesc Salvat, Aleksander Jablonski, Cedric J. Powell
Comput. Phys. Commun. 165(2005)157
ADWY_v1_0 BSR
BSR: B-spline atomic R-matrix codes
Oleg Zatsarinny
Comput. Phys. Commun. 174(2006)273
ADYL_v1_0 FERM3D
FERM3D: A finite element R-matrix electron molecule scattering code
Stefano Tonzani
Comput. Phys. Commun. 176(2007)146
ADZH_v1_0 KANTBP
KANTBP: A program for computing energy levels, reaction matrix and radial wave functions in the coupled-channel hyperspherical adiabatic approach
O. Chuluunbaatar, A.A. Gusev, A.G. Abrashkevich, A. Amaya-Tapia, M.S. Kaschiev, S.Y. Larsen, S.I. Vinitsky
Comput. Phys. Commun. 177(2007)649
ADZH_v2_0 KANTBP
KANTBP 2.0: New version of a program for computing energy levels, reaction matrix and radial wave functions in the coupled-channel hyperspherical adiabatic approach.
O. Chuluunbaatar, A.A. Gusev, S.I. Vinitsky, A.G. Abrashkevich
Comput. Phys. Commun. 179(2008)685
AEDV_v1_0 ODPEVP
ODPEVP: A program for computing eigenvalues and eigenfunctions and their first derivatives with respect to the parameter of the parametric self-adjoined Sturm-Liouville problem
O. Chuluunbaatar, A.A. Gusev, S.I. Vinitsky, A.G. Abrashkevich
Comput. Phys. Commun. 180(2009)1358
AEEA_v1_0 2DRMP:
2DRMP: a suite of two-dimensional R-matrix propagation codes
N.S. Scott, M.P. Scott, P.G. Burke, T. Stitt, V. Faro-Maza a, C. Denis, A. Maniopoulou
Comput. Phys. Commun. 180(2009)2424
AEIV_v1_0 AUTOSTRUCTURE
A Breit-Pauli distorted wave implementation for AUTOSTRUCTURE
N. R. Badnell
Comput. Phys. Commun. 182(2011)1528
AEJY_v1_0 raft
C-library raft: reconstruction algorithms for tomography. Applications to X-ray Fluorescence Tomography
Eduardo X. Miqueles, Alvaro R. De Pierro
Comput. Phys. Commun. 182(2011)2661
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
AENP_v1_0 DEPOSIT
The DEPOSIT computer code: calculations of electron-loss cross sections for complex ions colliding with neutral atoms.
Mikhail S. Litsarev
Comput. Phys. Commun. 184(2013)432
AESX_v1_0 POTHEA
POTHEA: A program for computing eigenvalues and eigenfunctions and their first derivatives with respect to the parameter of the parametric self-adjoined 2D elliptic partial differential equation
A.A. Gusev, O. Chuluunbaatar, S.I. Vinitsky, A.G. Abrashkevich
Comput. Phys. Commun. 185(2014)2636
AETH_v1_0 hex-db, hex-dwba
Collisions of electrons with hydrogen atoms I. Package outline and high energy code
Jakub Benda, Karel Houfek
Comput. Phys. Commun. 185(2014)2893
AETI_v1_0 hex-ecs
Collisions of electrons with hydrogen atoms II. Low-energy program using the method of the exterior complex scaling
Jakub Benda, Karel Houfek
Comput. Phys. Commun. 185(2014)2903
AETI_v2_0 hex-ecs
New version of hex-ecs, the B-spline implementation of exterior complex scaling method for solution of electron-hydrogen scattering
Jakub Benda, Karel Houfek
Comput. Phys. Commun. 204(2016)216
AEWW_v1_0 CHANDRAS_MIX
The Chandrasekhar function revisited
A. Jablonski
Comput. Phys. Commun. 196(2015)416
2.5 Photon Interactions
AAGY_v1_0 RAYLEIGH FORM FACTORS
Form factor program for Rayleigh scattering of gamma rays by bound electrons.
F. Smend, M. Schumacher
Comput. Phys. Commun. 7(1974)389
AAGY_v1_0 000ACORRECTION 25/09/75
Form factor program for Rayleigh scattering of gamma rays by bound electrons. (C.P.C. 7(1974)389).
F. Smend, M. Schumacher
Comput. Phys. Commun. 10(1975)257
AAHA_v1_0 RMATRX STG1
A general program to calculate atomic continuum processes using the R- matrix method.
K.A. Berrington, P.G. Burke, J.J. Chang, A.T. Chivers, W.D. Robb, K.T. Taylor
Comput. Phys. Commun. 8(1974)149
AAHB_v1_0 RMATRX STG2
A general program to calculate atomic continuum processes using the R- matrix method.
K.A. Berrington, P.G. Burke, J.J. Chang, A.T. Chivers, W.D. Robb, K.T. Taylor
Comput. Phys. Commun. 8(1974)149
AAHC_v1_0 RMATRX STG3
A general program to calculate atomic continuum processes using the R- matrix method.
K.A. Berrington, P.G. Burke, J.J. Chang, A.T. Chivers, W.D. Robb, K.T. Taylor
Comput. Phys. Commun. 8(1974)149
AAHF_v1_0 A NEW VERSION OF RMATRX STG1
A new version of the general program to calculate atomic continuum processes using the R-matrix method.
K.A. Berrington, P.G. Burke, M. Le Dourneuf, W.D. Robb, K.T. Taylor, V.K. Lan
Comput. Phys. Commun. 14(1978)367
AAHG_v1_0 A NEW VERSION OF RMATRX STG2
A new version of the general program to calculate atomic continuum processes using the R-matrix method.
K.A. Berrington, P.G. Burke, M. Le Dourneuf, W.D. Robb, K.T. Taylor, V.K. Lan
Comput. Phys. Commun. 14(1978)367
AAHH_v1_0 A NEW VERSION OF RMATRX STG3
A new version of the general program to calculate atomic continuum processes using the R-matrix method.
K.A. Berrington, P.G. Burke, M. Le Dourneuf, W.D. Robb, K.T. Taylor, V.K. Lan
Comput. Phys. Commun. 14(1978)367
AAHH_v1_0 0001 R-MATRIX POLARIZABILITIES
R-matrix dynamic dipole polarizabilities.
P. Shorer
Comput. Phys. Commun. 22(1981)467
AANR_v1_0 RMATRX STG1R
A general program to calculate atomic continuum processes incorporating model potentials and the Breit-Pauli Hamiltonian within the R-matrix method.
N.S. Scott, K.T. Taylor
Comput. Phys. Commun. 25(1982)347
AANS_v1_0 RMATRX STG2R
A general program to calculate atomic continuum processes incorporating model potentials and the Breit-Pauli Hamiltonian within the R-matrix method.
N.S. Scott, K.T. Taylor
Comput. Phys. Commun. 25(1982)347
AANT_v1_0 RMATRX RECUP
A general program to calculate atomic continuum processes incorporating model potentials and the Breit-Pauli Hamiltonian within the R-matrix method.
N.S. Scott, K.T. Taylor
Comput. Phys. Commun. 25(1982)347
AANU_v1_0 RMATRX RECUD
A general program to calculate atomic continuum processes incorporating model potentials and the Breit-Pauli Hamiltonian within the R-matrix method.
N.S. Scott, K.T. Taylor
Comput. Phys. Commun. 25(1982)347
AANV_v1_0 RMATRX STG3R
A general program to calculate atomic continuum processes incorporating model potentials and the Breit-Pauli Hamiltonian within the R-matrix method.
N.S. Scott, K.T. Taylor
Comput. Phys. Commun. 25(1982)347
AAXB_v1_0 PHOTUC
PHOTUC: oscillator strengths and photoionization cross sections from close coupling wavefunctions.
H.E. Saraph
Comput. Phys. Commun. 46(1987)107
ABTE_v1_0 FRFRTR
Subroutines for the evaluation of cross sections of one-photon radiative processes occuring in fast-electron H-atom collisions.
A. Dubois, A. Maquet
Comput. Phys. Commun. 60(1990)271
ABTF_v1_0 BREMSS
Subroutines for the evaluation of cross sections of one-photon radiative processes occuring in fast-electron H-atom collisions.
A. Dubois, A. Maquet
Comput. Phys. Commun. 60(1990)271
ACCN_v1_0 RAYLEIGH DHFS RFF AND MRFF
Rayleigh self consistent relativistic form factors and modified form factors.
D. Schaupp, M. Schumacher, F. Smend
Comput. Phys. Commun. 32(1984)413
ADCP_v1_0 RMATRX1
RMATRX1: Belfast atomic R-matrix codes.
K.A. Berrington, W.B. Eissner, P.H. Norrington
Comput. Phys. Commun. 92(1995)290
ADGL_v1_0 IMRDEC
A program to determine the radiation spectra due to a single atomic- subshell ionisation by a particle or due to deexcitation or decay of radionuclides.
J. Stepanek
Comput. Phys. Commun. 106(1997)237
ADIY_v1_0 STRFLO
STRFLO: a program for time-independent calculations of multiphoton processes in one-electron atomic systems. I. Quasienergy spectra and angular distributions.
R.M. Potvliege
Comput. Phys. Commun. 114(1998)42
ADKO_v1_0 fnodipol
Procedures for the evaluation of atomic transition matrix elements in the interaction with laser light.
L.B. Madsen, J.P. Hansen, H.M. Nilsen
Comput. Phys. Commun. 120(1999)231
ADPH_v1_0 ScatterTomo version 1.1
Software for X-ray fluorescence and scattering tomographic reconstruction.
A. Brunetti, B. Golosio
Comput. Phys. Commun. 141(2001)412
ADQV_v1_0 BSPCI2E
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
Comput. Phys. Commun. 150(2003)140
ADQY_v1_0 DIFOFA
An implementation of atomic form factors.
C. Santamarina Rios, J.J. Saborido Silva
Comput. Phys. Commun. 151(2003)79
ADSX_v1_0 BEACON
A program to compute the two-step excitation of mesospheric sodium atoms for the Polychromatic Laser Guide Star Project.
Véronique Bellanger, Arnaud Courcelle, Alain Petit
Comput. Phys. Commun. 162(2004)143
ADWY_v1_0 BSR
BSR: B-spline atomic R-matrix codes
Oleg Zatsarinny
Comput. Phys. Commun. 174(2006)273
ADXB_v1_0 QPROP
Qprop: A Schrödinger-solver for intense laser-atom interaction
Dieter Bauer, Peter Koval
Comput. Phys. Commun. 174(2006)396
ADXB_v2_0 Qprop
Photoelectron spectra with Qprop and t-SURFF
Volker Mosert, Dieter Bauer
Comput. Phys. Commun. 207(2016)452
AEAA_v1_0 POTHMF
POTHMF: A program for computing potential curves and matrix elements of the coupled adiabatic radial equations for a hydrogen-like atom in a homogeneous magnetic field
O. Chuluunbaatar, A.A. Gusev, V.P. Gerdt, V.A. Rostovtsev, S.I. Vinitsky, A. G. Abrashkevich, M.S. Kaschiev, V.V. Serov
Comput. Phys. Commun. 178(2008)301
AEDM_v1_0 ALTDSE
ALTDSE: An Arnoldi-Lanczos program to solve the time-dependent Schrödinger equation
Xiaoxu Guan, C.J. Noble, O. Zatsarinny, K. Bartschat, B.I. Schneider
Comput. Phys. Commun. 180(2009)2401
AEHR_v1_0 msprop
A Maxwell-Schrödinger solver for quantum optical few-level systems
Robert Fleischhaker, Jörg Evers
Comput. Phys. Commun. 182(2011)739
AEKK_v1_0 IONIS
IONIS: Approximate atomic photoionization intensities
Sami Heinäsmäki
Comput. Phys. Commun. 183(2012)431
AEQV_v1_0 ClassSTRONG
ClassSTRONG: Classical simulations of Strong Field processes
M.F. Ciappina, J.A. Pérez-Hernández, M. Lewenstein
Comput. Phys. Commun. 185(2014)398
AERO_v1_0 XRMC
Monte Carlo simulation of X-ray imaging and spectroscopy experiments using quadric geometry and variance reduction techniques.
Bruno Golosio, Tom Schoonjans, Antonio Brunetti, Piernicola Oliva, Giovanni Luca Masala
Comput. Phys. Commun. 185(2014)1044
AESM_v1_0 CLTDSE
A GPGPU based program to solve the TDSE in intense laser fields through the finite difference approach.
Cathal Ó Broin, L.A.A. Nikolopoulos
Comput. Phys. Commun. 185(2014)1791
AEWF_v1_0 MCMLMPI, IADMPI
Parallel Implementation of Inverse Adding-Doubling and Monte Carlo Multi-Layered Programs for High Performance Computing Systems with Shared and Distributed Memory
Svyatoslav Chugunov, Changying Li
Comput. Phys. Commun. 194(2015)64
AEYM_v1_0 SCID-TDSE: Time-dependent solution of 1-electron atomic Schrödinger equation in strong laser fields.
Simple, accurate, and efficient implementation of 1-electron atomic time-dependent Schrödinger equation in spherical coordinates.
Serguei Patchkovskii, H. G. Muller
Comput. Phys. Commun. 199(2016)153
AFBM_v1_0 PCTDSE
PCTDSE: A parallel Cartesian-grid-based TDSE solver for modeling laser-atom interactions
Yongsheng Fu, Jiaolong Zeng, Jianmin Yuan
Comput. Phys. Commun. 210(2016)187
2.6 Other Collision Processes
AACF_v1_0 SCATTERING BY COMPLEX POTENTIAL
The calculation of absorption and elastic cross sections using the optical potential.
A.C. Allison
Comput. Phys. Commun. 3(1972)173
AAGO_v1_0 SCAT
A general program to study the scattering of particles by solving coupled inhomogeneous second-order differential equations.
N. Chandra
Comput. Phys. Commun. 5(1973)417
AAOD_v1_0 GAMOW FUNCTIONS
GAMOW: a program for calculating the resonant state solution of the radial Schrodinger equation in an arbitrary optical potential.
T. Vertse, K.F. Pal, Z. Balogh
Comput. Phys. Commun. 27(1982)309
ACRL_v1_0 DCS
Program for calculating differential and integral cross sections for quantum mechanical scattering problems for reactance or transition matrices. See erratum Comp. Phys. Commun. 7(1974)177.
M.A. Brandt, D.G. Truhlar, R.L. Smith
Comput. Phys. Commun. 5(1973)456
ACRL_v1_0 0001 ACRL ADAPTED FOR IBM360/370
Program ACRL to calculate differential and integral cross sections adapted to run on IBM computers.
M.A. Brandt, D.G. Truhlar, R.L. Smith
Comput. Phys. Commun. 7(1974)172
ACRL_v2_0 DCS2
New version of program for calculating differential and integral cross sections for quantum mechanical scattering problems from reactance or transition matrices.
K. Onda, D.G. Truhlar, M.A. Brandt
Comput. Phys. Commun. 21(1980)97
ADRB_v1_0 SCRMTRX
The evaluation of transition matrix elements for atomic excitations by a screened Coulomb potential.
A. Orban, B. Sulik
Comput. Phys. Commun. 151(2003)199
AEBO_v1_0 ASPIN
ASPIN: An all spin scattering code for atom-molecule rovibrationally inelastic cross sections.
D. López-Durán, E. Bodo, F. A. Gianturco
Comput. Phys. Commun. 179(2008)821
AEFV_v1_0 MCEG
Monte Carlo event generators in atomic collisions: a new tool to tackle the few-body dynamics
M.F. Ciappina, T. Kirchner, M. Schulz
Comput. Phys. Commun. 181(2010)813
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
AEMI_v1_0 SymbMat
SymbMat: Symbolic Computation of Quantum Transition Matrix Elements
M.F. Ciappina, T. Kirchner
Comput. Phys. Commun. 183(2012)1832
AENP_v1_0 DEPOSIT
The DEPOSIT computer code: calculations of electron-loss cross sections for complex ions colliding with neutral atoms.
Mikhail S. Litsarev
Comput. Phys. Commun. 184(2013)432
AENP_v2_0 DEPOSIT 2014
The DEPOSIT computer code based on the low rank approximations.
Mikhail S. Litsarev, Ivan V. Oseledets
Comput. Phys. Commun. 185(2014)2801
2.7 Wave Functions and Integrals
AACB_v1_0 RKDP-RK INTEGRALS(DOUBLE PREC.)
Hydrogenic Rk integrals.
M.N. Lewis
Comput. Phys. Commun. 1(1970)325
AACB_v1_0 000A CORRECTION 24/06/70
Hydrogenic Rk integrals. (C.P.C. 1(1970)325).
M.N. Lewis
Comput. Phys. Commun. 1(1970)469
AAGP_v1_0 NETI
Program for evaluation of non-exchange type integrals required in electron-atom scattering theory using Slater-type orbitals as basis functions.
R.L. Smith, D.G. Truhlar
Comput. Phys. Commun. 5(1973)80
AAGP_v1_0 000ACORRECTION 19/07/74
Program for evaluation of non-exchange type integrals required in electron-atom scattering theory using Slater-type orbitals as basis functions. (C.P.C. 5(1973)80).
R.L. Smith, D.G. Truhlar
Comput. Phys. Commun. 8(1974)333
AAGP_v1_0 0001 NETI/ETI
Continuum exchange integrals for algebraic variational calculations of electron-atom scattering using Slater-type orbitals as basis functions.
J. Abdallah Jr., D.G. Truhlar
Comput. Phys. Commun. 9(1975)327
AAGP_v2_0 NETIX
Program for evaluation of non-exchange type integrals required in electron-atom scattering theory using Slater-type orbitals as basis functions.
R.L. Smith, D.G. Truhlar
Comput. Phys. Commun. 5(1973)81
AAGP_v2_0 000ACORRECTION 19/07/74
Program for evaluation of non-exchange type integrals required in electron-atom scattering theory using Slater-type orbitals as basis functions. (C.P.C. 5(1973)81).
R.L. Smith, D.G. Truhlar
Comput. Phys. Commun. 8(1974)333
AAHE_v1_0 A NEW VERSION OF BASFUN
A general program to calculate atomic continuum processes using the R- matrix method.
K.A. Berrington, P.G. Burke, J.J. Chang, A.T. Chivers, W.D. Robb, K.T. Taylor
Comput. Phys. Commun. 8(1974)149
AAKC_v1_0 MAPPAC
A program for atomic wavefunction computations by the parametric potential method.
M. Klapisch
Comput. Phys. Commun. 2(1971)239
AAKL_v1_0 SPINORBITWEIGHTS
A general program to calculate the matrix of the spin-orbit interaction.
W.-D. Klotz
Comput. Phys. Commun. 9(1975)102
AAKL_v1_0 000A CORRECTION 18/07/75
A general program to calculate the matrix of the spin-orbit interaction. (C.P.C. 9(1975)102).
W.-D. Klotz
Comput. Phys. Commun. 10(1975)70
AAKL_v1_0 0001 WKAPPAKQ
Reduced matrix elements of summations of one-particle tensor products.
W.-D. Klotz
Comput. Phys. Commun. 10(1975)56
AAKL_v2_0 SPINORBIT WEIGHTS 2
A new version of AAKL (the matrix elements of spin-orbit interaction) adapted to spectroscopic notation.
K.M.S. Saxena
Comput. Phys. Commun. 13(1977)193
ABBN_v1_0 R12 INTERACTION MATRIX ELEMENTS
A Reduce package for exact Coulomb interaction matrix elements.
N. Bogdanova, H. Hogreve
Comput. Phys. Commun. 48(1988)319
ABWA_v1_0 HYDROGENIC INTERACTION INTEGRAL
A program to calculate the radial parts of interaction matrix elements between two hydrogenic wave functions as power series.
M.J. Jamieson
Comput. Phys. Commun. 1(1970)437
ABZQ_v1_0 CMPT
CMPT: a program giving the analytical result of Nordsieck's integral including powers of the radius from -1 to +6.
J.C. Straton
Comput. Phys. Commun. 66(1991)66
ACCM_v1_0 CLMINT
Radial electric multipole matrix elements for inelastic collisions in atomic and nuclear physics.
H.F. Arnoldus
Comput. Phys. Commun. 32(1984)421
ACDH_v1_0 GREEN
Integrals involved in the perturbation theory of a hydrogen-like system. I.
J. Mlodzki, A. Lusakowski, M. Suffczynski
Comput. Phys. Commun. 34(1984)199
ACDI_v1_0 GREEN2
Integrals involved in the perturbation theory of a hydrogen-like system. II.
J. Mlodzki
Comput. Phys. Commun. 34(1984)211
ACQK_v1_0 TWO ELECTRON WAVEFUNCTIONS
Computation of wavefunctions for the helium isoelectronic sequence.
H.O. Knox
Comput. Phys. Commun. 1(1970)167
ACQS_v1_0 NUMERICAL ORBITAL FUNCTIONS
A program to generate numerical orbital functions.
W.D. Robb
Comput. Phys. Commun. 1(1970)457
ACRO_v1_0 ATOMINT
Atomic integral containing three odd powers of interelectronic separation coordinates.
A.H. Moussa, H.M.A. Radi
Comput. Phys. Commun. 6(1973)89
ACYB_v1_0 SLATER INTEGRALS
Exact Slater integrals.
L.B. Golden
Comput. Phys. Commun. 14(1978)255
ACYU_v1_0 STP
An integral package for one-centre integrals over Slater-Transform- Preuss functions.
E. Yurtsever
Comput. Phys. Commun. 16(1978)65
ADAD_v1_0 CRADINTEG
Radial integrals in the Coulomb-Born approximation.
K. Takagishi, M. Ohkura, S. Nakazaki
Comput. Phys. Commun. 85(1995)293
ADAX_v1_0 Vij
Automatic generation of analytical matrix elements for electron-atom scattering.
E.J. Mansky, M.R. Flannery
Comput. Phys. Commun. 88(1995)278
ADKO_v1_0 fnodipol
Procedures for the evaluation of atomic transition matrix elements in the interaction with laser light.
L.B. Madsen, J.P. Hansen, H.M. Nilsen
Comput. Phys. Commun. 120(1999)231
ADMW_v1_0 MTRXCOUL
A Fortran program to calculate the matrix elements of the Coulomb interaction involving hydrogenic wave functions.
L. Sarkadi
Comput. Phys. Commun. 133(2000)119
ADOX_v1_0 MTRDCOUL
Calculation of the matrix elements of the Coulomb interaction involving relativistic hydrogenic wave functions.
L. Lugosi, L. Sarkadi
Comput. Phys. Commun. 141(2001)73
ADPE_v1_0 QDHartreeFock.nb v 1.0
Electronic structure calculation for N-electron quantum dots.
S.A. McCarthy, J.B. Wang, P.C. Abbott
Comput. Phys. Commun. 141(2001)175
ADQE_v1_0 CRIMPT2W
Radial integrals in the Coulomb-Born approximation: multipole transitions.
A. Ohsaki, A. Igarashi, T. Kai, S. Nakazaki
Comput. Phys. Commun. 147(2002)826
ADQY_v1_0 DIFOFA
An implementation of atomic form factors.
C. Santamarina Rios, J.J. Saborido Silva
Comput. Phys. Commun. 151(2003)79
ADRJ_v1_0 GREENS
Relativistic wave and Green's functions for hydrogen-like ions.
P. Koval, S. Fritzsche
Comput. Phys. Commun. 152(2003)191
ADUQ_v1_0 DIRAC
Algebraic tools for dealing with the atomic shell model.
I. Wavefunctions and integrals for hydrogen-like ions.
Andrey Surzhykov, Peter Koval, Stephan Fritzsche
Comput. Phys. Commun. 165(2005)139
ADVR_v1_0 atmscf
Atomic Self-Consistent-Field Program by the Basis Set Expansion Method: Columbus Version
Russell M. Pitzer
Comput. Phys. Commun. 170(2005)239
ADVR_v2_0 atmscf
Changes to Atomic Self-Consistent-Field Program by the Basis Set Expansion Method: Columbus Version
Russell M. Pitzer
Comput. Phys. Commun. 183(2012)1841
ADWM_v1_0 Xgreens
Relativistic central-field Green's functions for the RATIP package
Peter Koval, Stephan Fritzsche
Comput. Phys. Commun. 172(2005)187
ADZH_v3_0 KANTBP
KANTBP 3.0: New version of a program for computing energy levels, reflection and transmission matrices, and corresponding wave functions in the coupled-channel adiabatic approach
A.A. Gusev, O. Chuluunbaatar, S.I. Vinitsky, A.G. Abrashkevich
Comput. Phys. Commun. 185(2014)3341
ADZN_v1_0 GPODA
Ground state of the time-independent Gross-Pitaevskii equation
Claude M. Dion, Eric Cancès
Comput. Phys. Commun. 177(2007)787
AEAJ_v1_0 edf
EDF: Computing electron number probability distribution functions in real space from molecular wave functions.
E. Francisco, A. Martín Pendás, M. A. Blanco
Comput. Phys. Commun. 178(2008)621
AEAJ_v2_0 edf
Electron number distribution functions from molecular wavefunctions. Version 2
E. Francisco, A. Martín Pendás
Comput. Phys. Commun. 185(2014)2663
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
AEAS_v1_0 Dirac++ or (abbreviated) d++
FFT-split-operator code for solving the Dirac equation in 2+1 dimensions
Guido R. Mocken, Christoph H. Keitel
Comput. Phys. Commun. 178(2008)868
AEEV_v1_0 tripleint.cc
'tripleint.cc' : a program for 2-centre variational leptonic Coulomb potential matrix elements using Hylleraas-type trial functions, with a performance optimization study
M. Plummer, E.A.G. Armour, A.C. Todd, C.P. Franklin, J.N. Cooper
Comput. Phys. Commun. 180(2009)2410
AEFK_v1_0 TwoElAtom-S
The two-electron atomic systems. S-states.
Evgeny Z. Liverts, Nir Barnea
Comput. Phys. Commun. 181(2010)206
AEHD_v1_0 HContinuumGautchi
An accurate Fortran code for computing hydrogenic continuum wave functions at a wide range of parameters
Liang-You Peng, Qihuang Gong
Comput. Phys. Commun. 181(2010)2098
AEHY_v1_0 TwoElAtomSL(SH)
S - states of helium-like ions
Evgeny Z. Liverts, Nir Barnea
Comput. Phys. Commun. 182(2011)1790
AEHY_v2_0 TwoElAtomSL(SH)
S - states of helium-like ions
Evgeny Z. Liverts, Nir Barnea
Comput. Phys. Commun. 183(2012)844
AELE_v1_0 QnDynCUDA
An object-oriented implementation of a solver of the time-dependent Schrödinger equation using the CUDA technology
Tomasz Dziubak, Jacek Matulewski
Comput. Phys. Commun. 183(2012)800
AELQ_v1_0 KKR algorithm
Computer implementation of the Kerov-Kirillov-Reshethikin algorithm
P. Jakubczyk, A. Wal, D. Jakubczyk, T. Lulek
Comput. Phys. Commun. 183(2012)1354
AEMW_v1_0 seriesSolveOde1
High precision series solution of differential equations: Ordinary and regular singular point of second order ODEs.
Amna Noreen, Kåre Olaussen
Comput. Phys. Commun. 183(2012)2291
AENT_v1_0 GSGPEs
GSGPEs: a MATLAB code for computing the ground state of systems of Gross-Pitaevskii equations
Marco Caliari, Stefan Rainer
Comput. Phys. Commun. 184(2013)812
AEQW_v1_0 wavepacket
Program for quantum wave-packet dynamics with time-dependent potentials
C.M. Dion, A. Hashemloo, G. Rahali
Comput. Phys. Commun. 185(2014)407
AETU_v1_0 GPELab
GPELab, a Matlab Toolbox to solve Gross-Pitaevskii Equations I: computation of stationary solutions
Xavier Antoine, Romain Duboscq
Comput. Phys. Commun. 185(2014)2969
AETU_v2_0 GPELab
GPELab, a Matlab Toolbox to solve Gross-Pitaevskii Equations II: dynamics and stochastic simulations
Xavier Antoine, Romain Duboscq
Comput. Phys. Commun. 193(2015)95
AEUY_v1_0 Dirac_Laczos
Krylov subspace methods for the Dirac equation
Randolf Beerwerth, Heiko Bauke
Comput. Phys. Commun. 188(2015)189
AEWE_v1_0 SLIMP
SLIMP: Strong Laser Interaction Model Package for atoms and molecules
Bin Zhang, Zengxiu Zhao
Comput. Phys. Commun. 192(2015)330
AEYR_v1_0 corr3p_tr
corr3p_tr: A particle approach for the three-body problem
S. Edvardsson, Kristoffer Karlsson, H. Olin
Comput. Phys. Commun. 200(2016)259
AFBD_v1_0 GPFEM
A finite-element toolbox for the stationary Gross-Pitaevskii equation with rotation
Guillaume Vergez, Ionut Danaila, Sylvain Auliac, Frédéric Hecht
Comput. Phys. Commun. 209(2016)144
2.8 Exotic Atoms
AAMA_v1_0 MUONIC ATOM CASCADE
Muonic atom cascade program.
V.R. Akylas, P. Vogel
Comput. Phys. Commun. 15(1978)291
ABNB_v1_0 MUON
Static and dynamic muonic-atom codes MUON and RURP.
G.A. Rinker
Comput. Phys. Commun. 16(1979)221
ABNC_v1_0 RURP
Static and dynamic muonic-atom codes MUON and RURP.
G.A. Rinker
Comput. Phys. Commun. 16(1979)221
AEPU_v1_0 ThreeBSCbSSR
Three-body systems with Coulomb interaction. Bound and quasi-bound S-states.
Evgeny Z. Liverts, Nir Barnea
Comput. Phys. Commun. 184(2013)2596
AEYR_v1_0 corr3p_tr
corr3p_tr: A particle approach for the three-body problem
S. Edvardsson, Kristoffer Karlsson, H. Olin
Comput. Phys. Commun. 200(2016)259
2.9 Theoretical Methods
AAAL_v1_0 MCBP-BREIT ANGULAR COEFFICIENTS
MCBP: a program to calculate angular coefficients of the Breit interaction between electrons in the low energy limit.
N. Beatham, I.P. Grant, B.J. McKenzie, N.C. Pyper
Comput. Phys. Commun. 18(1979)245
AABN_v1_0 SU2DIMPH
Model space dimensionalities for multiparticle fermion systems.
J.P. Draayer, H.T. Valdes
Comput. Phys. Commun. 36(1985)313
ACBF_v1_0 COEFANG1
A new program for calculating matrix elements in atomic structure.
P.M. Lima
Comput. Phys. Commun. 66(1991)99
ACQL_v1_0 WEIGHTS
A general program for calculating angular momentum integrals in atomic structure.
A. Hibbert
Comput. Phys. Commun. 1(1970)359
ACQL_v2_0 WEIGHTS NEW VERSION
A new version of a general program to calculate angular momentum integrals in atomic structure.
A. Hibbert
Comput. Phys. Commun. 2(1971)180
ACQL_v2_0 000A CORRECTION 22/05/73
A new version of a general program to calculate angular momentum integrals in atomic structure. (C.P.C. 2(1971)180).
A. Hibbert
Comput. Phys. Commun. 6(1973)59
ACQL_v2_0 0001ADAPT WEIGHTS FOR ONE PART
Adaptation of a general program to calculate angular momentum integrals in atomic structure: inclusion of the one-electron part of the hamiltonian.
A. Hibbert
Comput. Phys. Commun. 7(1974)318
ACQL_v2_0 0002ADAPT TO TEST CONFIG DATA
Adaptation of a general program to calculate angular momentum integrals in atomic structure: inclusion of the checking of the configuration data.
A. Hibbert
Comput. Phys. Commun. 8(1974)329
ACQL_v3_0 WEIGHTS A MORE EFFICIENT VERSION
A more efficient version of the WEIGHTS and NJSYM packages.
N.S. Scott, A. Hibbert
Comput. Phys. Commun. 28(1982)189
ACRJ_v1_0 MCP
A general program to calculate angular momentum coefficients in relativistic atomic structure. See erratum Comp. Phys. Commun. 6(1973)98.
I.P. Grant
Comput. Phys. Commun. 5(1973)263
ACRJ_v1_0 000A CORRECTION 10/06/76
Appendix to a program to calculate angular momentum coefficients in relativistic atomic structure - revised version. (C.P.C. 5(1973)263).
I.P. Grant
Comput. Phys. Commun. 11(1976)397
ACRJ_v1_0 000B CORRECTION 2/02/77
A general program to calculate angular momentum coefficients in relativistic atomic structure. (C.P.C. 5(1973)263).
I.P. Grant
Comput. Phys. Commun. 13(1977)429
ACWE_v1_0 MCP75
A program to calculate angular momentum coefficients in relativistic atomic structure - revised version.
I.P. Grant
Comput. Phys. Commun. 11(1976)397
ACWE_v1_0 000A CORRECTION 29/09/77
A program to calculate angular momentum coefficients in relativistic atomic structure - revised version. (C.P.C. 11(1976)397).
I.P. Grant
Comput. Phys. Commun. 14(1978)311
ADBV_v1_0 Chfs
A program to compute the angular coefficients of the relativistic one- electron hyperfine structure parameters.
S. Kroger, M. Kroger
Comput. Phys. Commun. 90(1995)381
ADBV_v1_0 000ACORRECTION 18/11/96
A program to compute the angular coefficients of the relativistic one- electron hyperfine structure parameters. (C.P.C. 90(1995)381).
S. Kroger, M. Kroger
Comput. Phys. Commun. 103(1997)97
ADEF_v1_0 MLM
Numerical and symbolic calculation of the multipole matrix elements in the axial and triaxial harmonic oscillator basis.
V. Martin, L.M. Robledo
Comput. Phys. Commun. 99(1996)113
ADFQ_v1_0 Quantum trajectory class library
A C++ library using quantum trajectories to solve quantum master equations.
R. Schack, T.A. Brun
Comput. Phys. Commun. 102(1997)210
ADGF_v1_0 FBS
Solution of few-body problems with the stochastic variational method: I. Central forces.
K. Varga, Y. Suzuki
Comput. Phys. Commun. 106(1997)157
ADWD_v1_0 SELECTCONF
A program of generation and selection of configurations for the configuration interaction method in atomic calculations SELECTCONF.
P. Bogdanovich, R. Karpuskiene, A. Momkauskaite
Comput. Phys. Commun. 172(2005)133
ADXA_v1_0 JAHN
JAHN - A program for representing atomic and nuclear states within an isospin basis
G. Gaigalas, S. Fritzsche, E. Gaidamauskas, G. Kirsanskas, T. Zalandauskas
Comput. Phys. Commun. 175(2006)52
ADXD_v1_0 Hfs
Hyperfine structure parametrization in Maple
O. Scharf, S. Fritzsche, G. Gaigalas
Comput. Phys. Commun. 174(2006)202
AEDU_v1_0 (i) imagetime1d, (ii) imagetime2d, (iii) imagetime3d, (iv) imagetimecir, (v) imagetimesph, (vi) imagetimeaxial, (vii) realtime1d, (viii) realtime2d, (ix) realtime3d, (x) realtimecir, (xi) realtimesph, (xii) realtimeaxial
Fortran programs for the time-dependent Gross-Pitaevskii equation in a fully anisotropic trap
P. Muruganandam, S.K. Adhikari
Comput. Phys. Commun. 180(2009)1888
AEDU_v2_0 GP-SCL package, consisting of: (i) imagtime1d, (ii) imagtime2d, (iii) imagtime2d-th, (iv) imagtimecir, (v) imagtime3d, (vi) imagtime3d-th, (vii) imagtimeaxial, (viii) imagtimeaxial-th, (ix) imagtimesph, (x) realtime1d, (xi) realtime2d, (xii) realtime2d-th, (xiii) realtimecir, (xiv) realtime3d, (xv) realtime3d-th, (xvi) realtimeaxial, (xvii) realtimeaxial-th, (xviii) realtimesph
C programs for solving the time-dependent Gross-Pitaevskii equation in a fully anisotropic trap
Dusan Vudragović, Ivana Vidanović, Antun Balaz, Paulsamy Muruganandam, Sadhan K. Adhikari
Comput. Phys. Commun. 183(2012)2021
AEDU_v3_0 GP-SCL-HYB package, consisting of: (i) imagtime3d-hyb, (ii) realtime3d-hyb.
Hybrid OpenMP/MPI programs for solving the time-dependent Gross-Pitaevskii equation in a fully anisotropic trap
Bogdan Satarić, Vladimir Slavnić, Aleksandar Belić, Antun Balaz;, Paulsamy Muruganandam, Sadhan K. Adhikari
Comput. Phys. Commun. 200(2016)411
AEDU_v4_0 BEC-GP-OMP package, consisting of: (i) imag1d, (ii) imag2d, (iii) imag3d, (iv) imagaxi, (v) imagcir, (vi) imagsph, (vii) real1d, (viii) real2d, (ix) real3d, (x) realaxi, (xi) realcir, (xii) realsph.
OpenMP Fortran and C programs for solving the time-dependent Gross-Pitaevskii equation in an anisotropic trap
Luis E. Young-S., Dusan Vudragović, Paulsamy Muruganandam, Sadhan K. Adhikari, Antun Balaz
Comput. Phys. Commun. 204(2016)209
AEFK_v1_0 TwoElAtom-S
The two-electron atomic systems. S-states.
Evgeny Z. Liverts, Nir Barnea
Comput. Phys. Commun. 181(2010)206
AEFR_v1_0 DENSITY
Multiconfiguration electron density function for the ATSP2K-package
A. Borgoo, O. Scharf, G. Gaigalas, M. Godefroid
Comput. Phys. Commun. 181(2010)426
AEHY_v1_0 TwoElAtomSL(SH)
S - states of helium-like ions
Evgeny Z. Liverts, Nir Barnea
Comput. Phys. Commun. 182(2011)1790
AEHY_v2_0 TwoElAtomSL(SH)
S - states of helium-like ions
Evgeny Z. Liverts, Nir Barnea
Comput. Phys. Commun. 183(2012)844
AEJL_v1_0 SNEG
SNEG - Mathematica package for symbolic calculations with second-quantization-operator expressions
Rok Zitko
Comput. Phys. Commun. 182(2011)2259
AEJY_v1_0 raft
C-library raft: reconstruction algorithms for tomography. Applications to X-ray Fluorescence Tomography
Eduardo X. Miqueles, Alvaro R. De Pierro
Comput. Phys. Commun. 182(2011)2661
AELA_v1_0 Strongdeco
Strongdeco: Expansion of analytical, strongly correlated quantum states into a many-body basis
Bruno Juliá-Díaz, Tobias Grass
Comput. Phys. Commun. 183(2012)737
AEMA_v1_0 RATIP
The RATIP program for relativistic calculations of atomic transition, ionization and recombination properties
S. Fritzsche
Comput. Phys. Commun. 183(2012)1525
AEPU_v1_0 ThreeBSCbSSR
Three-body systems with Coulomb interaction. Bound and quasi-bound S-states.
Evgeny Z. Liverts, Nir Barnea
Comput. Phys. Commun. 184(2013)2596
AEQK_V1_0 art
Analytical Ray Tracing System: Introducing art*, a C-Library designed for Seismic Applications
Eduardo X. Miqueles, Tiago A. Coimbra, Bruno D. Amaro, J.J.S. de Figueiredo
Comput. Phys. Commun. 185(2014)274
AEWL_v1_0 (i) imag1d, (ii) imag2d, (iii) imag3d, (iv) real1d, (v) real2d, (vi) real3d
Fortran and C programs for the time-dependent dipolar Gross-Pitaevskii equation in an anisotropic trap
R. Kishor Kumar, Luis E. Young-S., Dusan Vudragovic, Antun Balaz, Paulsamy Muruganandam, S. K. Adhikari
Comput. Phys. Commun. 195(2015)117
AEWL_v2_0 DBEC-GP-CUDA package, consisting of: (i) imag2dXY-cuda, (ii) imag2dXZ-cuda, (iii) imag3d-cuda, (iv) real2dXY-cuda, (v) real2dXZ-cuda, (vi) real3d-cuda.
CUDA programs for solving the time-dependent dipolar Gross-Pitaevskii equation in an anisotropic trap
Vladimir Loncar, Antun Balaz, Aleksandar Bogojević, Srdjan Škrbić, Paulsamy Muruganandam, Sadhan K. Adhikari
Comput. Phys. Commun. 200(2016)406
AEYR_v1_0 corr3p_tr
corr3p_tr: A particle approach for the three-body problem
S. Edvardsson, Kristoffer Karlsson, H. Olin
Comput. Phys. Commun. 200(2016)259
AEZQ_v1_0 RGIsearch
RGIsearch: A C++ program for the determination of Renormalization Group Invariants
Rob Verheyen
Comput. Phys. Commun. 202(2016)351