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Dirac (software)

Dirac (named after Paul Dirac; own notation DIRAC) is a relativistic ab initio quantum chemistry program. The full name is Program for Atomic and Molecular Direct Iterative Relativistic All-electron Calculations, in short PAM DIRAC. It is capable of calculating various molecular properties using the Hartree–Fock, MP2, density functional theory…

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Developers
T. Saue, L. Visscher, H. J. Aa. Jensen, R. Bast, A. S. P. Gomes
License
LGPL 2.1 only
Operating system
Linux, FreeBSD, Microsoft Windows, macOS
Stable release
DIRAC25
Type
Computational chemistry

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Dirac (software)

Nodes11
Edges10
Triples6
Avg. degree1.82
Density0.181818
Components1

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Dirac (software)

Top relations

Developers · 1
Dirac (software) → T. Saue, L. Visscher, H. J. Aa. Jensen, R. Bast, A. S. P. Gomes
License · 1
Dirac (software) → LGPL 2.1 only
Operating system · 1
Dirac (software) → Linux, FreeBSD, Microsoft Windows, macOS
Stable release · 1
Dirac (software) → DIRAC25
Type · 1
Dirac (software) → Computational chemistry
Website · 1
Dirac (software) → www.diracprogram.org/doku.php/

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Important terminology

dirac chemistry relativistic program quantum molecular using dirac25 see homepage mp2 named paul notation ab initio full name atomic direct

Entity relationships Subject–Predicate–Object triples

SubjectPredicateObjectConfidenceSrc
Dirac (software)DevelopersT. Saue, L. Visscher, H. J. Aa. Jensen, R. Bast, A. S. P. Gomes1.00infobox
Dirac (software)LicenseLGPL 2.1 only1.00infobox
Dirac (software)Operating systemLinux, FreeBSD, Microsoft Windows, macOS1.00infobox
Dirac (software)Stable releaseDIRAC251.00infobox
Dirac (software)TypeComputational chemistry1.00infobox
Dirac (software)Websitewww.diracprogram.org/doku.php/1.00infobox

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