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{{short description|Chemistry program for Intel-compatible x86, x86-64 processors}}
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{{about|computer software for [[computational chemistry]]||Firefly (disambiguation)}}
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{{Infobox software
| name = Firefly
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| developer = [[Moscow State University]], Chemistry Department
| released = {{Start date and age|1997|03|18}}
| latest release version = 8.
| latest release date = {{Start date and age|
| latest preview version =
| latest preview date =
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| size =
| language = English
| genre = [[Computational chemistry]]
| license = [[Proprietary software|Proprietary]] [[freeware]]<ref>
| website = {{URL|http://classic.chem.msu.su/gran/gamess/}}
}}
'''Firefly''', formerly named '''PC GAMESS''', is an [[ab initio quantum chemistry methods|ab initio]] [[computational chemistry]] program for [[Intel]]-compatible [[x86]], [[x86-64]] [[Microprocessor|processor]]s based on [[GAMESS (US)]] sources. However, it has been mostly rewritten (60-70% of the code), especially in platform-specific parts ([[memory allocation]], disk [[input/output]], [[computer network|network]]), [[mathematic]] functions (e.g., [[Matrix (mathematics)|matrix]] operations), and [[quantum chemistry]] methods (such as [[Hartree–Fock method]], [[Møller–Plesset perturbation theory]], and [[density functional theory]]). Thus, it is significantly faster than the original GAMESS. The main maintainer of the program
==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 Thus, users of the outdated PC GAMESS binaries (version 7.1.B and all earlier releases) were required to discontinue using the PC GAMESS and upgrade to Firefly.<ref name="bare_url" />
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,<ref>{{cite web |title=baoilleach/qmspeedtest |url=https://github.com/baoilleach/qmspeedtest |website=GitHub |date=13 September 2018 |language=en}}</ref><ref>{{cite web |url=https://github.com/PedroJSilva/qmspeedtest|title=PedroJSilva/qmspeedtest|website=GitHub |date=December 2017|language=en}}</ref> 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.<ref>{{cite journal |last1=Granovsky |first1=Alexander A. |title=Extended multi-configuration quasi-degenerate perturbation theory: The new approach to multi-state multi-reference perturbation theory |journal=The Journal of Chemical Physics |date=7 June 2011 |volume=134 |issue=21 |pages=214113 |doi=10.1063/1.3596699|pmid=21663350 |bibcode=2011JChPh.134u4113G }}</ref>
At the end of 2019, Firefly's main developer A. A. Granovsky unexpectedly died but the project continues.<ref name="bare_url"/>
==See also==
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==External links==
* {{Official website|http://classic.chem.msu.su/gran/gamess/}}
* [https://web.archive.org/web/20131228192223/http://redandr.ca/bench/ PC GAMESS SCF Benchmark]
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[[Category:Computational chemistry software]]
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