Structure System (GAMESS-UK) is a computer software program for computational chemistry. The original code split in 1981 into GAMESS-UK and GAMESS (US) variants...
3 KB (206 words) - 17:34, 12 July 2023
Chemistry Program Exchange (QCPE) code of GAMESS split in 1981 and now the three version differ considerably: GAMESS (UK), a fork of the General Atomic and Molecular...
741 bytes (129 words) - 20:23, 24 July 2022
project. In 1981, the code base split into GAMESS (US) and GAMESS (UK) variants, which now differ significantly. GAMESS (US) is maintained by the members of...
12 KB (1,057 words) - 05:40, 30 April 2024
GVB, MP2, DFT, TDDFT, CHARMM, AMBER, OPLSAA) QM/MM package integrated in GAMESS-US. 10 Through CRYSCOR Archived 2019-12-26 at the Wayback Machine program...
27 KB (510 words) - 07:28, 15 May 2024
AM1 is implemented in the MOPAC, AMPAC, Gaussian, CP2K, GAMESS (US), PC GAMESS, GAMESS (UK), and SPARTAN programs. An extension of AM1 is SemiChem Austin...
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methods, and in several other programs such as Gaussian, CP2K, GAMESS (US), GAMESS (UK), PC GAMESS, Chem3D, AMPAC, ArgusLab, BOSS, and SPARTAN. The original...
4 KB (468 words) - 19:54, 5 October 2022
the group of Michael Dewar. It is also part of the AMPAC, GAMESS (US), PC GAMESS, GAMESS (UK), Gaussian, ORCA and CP2K programs. Later, it was essentially...
4 KB (410 words) - 10:06, 3 December 2023
ADF AMPAC DMol3 CADPAC CASINO CASTEP CPMD CRUNCH CRYSTAL Firefly GAMESS (UK) GAMESS (US) Gaussian Jaguar MOLCAS MOLPRO ONETEP OpenAtom ORCA PLATO PQS...
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ADF AMPAC DMol3 CADPAC CASINO CASTEP CPMD CRUNCH CRYSTAL Firefly GAMESS (UK) GAMESS (US) Gaussian Jaguar MOLCAS MOLPRO ONETEP OpenAtom ORCA PLATO PQS...
32 KB (3,619 words) - 19:03, 12 January 2024
Firefly (computer program) (redirect from PC GAMESS)
formerly named PC GAMESS, is an ab initio computational chemistry program for Intel-compatible x86, x86-64 processors based on GAMESS (US) sources. However...
5 KB (391 words) - 17:35, 12 July 2023