Firefly (computer program)
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Original author(s) | Alex A. Granovsky. Anastasia V. Bochenkova, James W. Kress |
---|---|
Developer(s) | Moscow State University, Chemistry Department |
Initial release | March 18, 1997 |
Stable release | 8.2.0
/ September 19, 2016 |
Written in | OS X, Linux |
Platform | x86, x86-64 |
Available in | English |
Type | Computational chemistry |
License | Proprietary freeware[1] |
Website | classic |
Firefly, formerly named PC GAMESS, is an
History
On December 4, 2009, the support of any PC GAMESS versions earlier than the first PC GAMESS Firefly version 7.1.C was abandoned, and any and all licenses to use the code were revoked. Thus, users of the outdated PC GAMESS binaries (version 7.1.B and all earlier releases) were required to discontinue using the PC GAMESS and upgrade to Firefly.[2]
On July 25, 2012, a state of the art edition of Firefly, version 8.0.0 RC, was launched for public beta testing. A relative comparison has shown that it is far faster and more reliable than the prior edition, Firefly 7.1.G. Many changes were made to enhance its abilities.
In the Quantum Chemistry Speed Test,[3][4] Firefly's DFT code came second (losing only to commercial QChem), beating other free DFT codes by a large margin. Firefly's unique capabilities include XMCQDPT2, a reformulation of Nakano's multi-state multi-configuration quasi-degenerate perturbation theory (MCQDPT) correcting for some of its deficiencies.[5]
At the end of 2019, Firefly's main developer A. A. Granovsky unexpectedly died but the project continues.[2]
See also
- GAMESS (US)
- GAMESS (UK)
- Quantum chemistry computer programs
References
- ^ "Firefly downloads area terms of use". classic.chem.msu.su.
- ^ a b c "Firefly Home Page". classic.chem.msu.su.
- ^ "baoilleach/qmspeedtest". GitHub. 13 September 2018.
- ^ "PedroJSilva/qmspeedtest". GitHub. December 2017.
- PMID 21663350.