Firefly (computer program): Difference between revisions

Revision as of 14:54, 31 May 2016

Revision as of 21:45, 18 September 2016

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{{about|computer software for [[computational chemistry]]||Firefly (disambiguation)}}

{{Infobox software

| name = Firefly

| logo =

| screenshot =

| caption =

| collapsible =

| author = Alex A. Granovsky. Anastasia V. Bochenkova, James W. Kress

| developer = [[Moscow State University]], Chemistry Department

| released = {{Start date and age|1997|03|18}}

| latest release version = 8.1.1

| latest release date = {{Start date and age|2015|09|03}}

| latest preview version =

| latest preview date =

| programming language = [[Fortran]], [[C (programming language)|C]]

| operating system = [[Microsoft Windows|Windows]], [[OS X]], [[Linux]]

| platform = [[x86]]

| size =

| language = English

| status = Active

| genre = [[Computational chemistry]]

| license = [[Proprietary software|Proprietary]] [[freeware]]<ref>[http://classic.chem.msu.su/gran/gamess/downloads.html Firefly license]</ref>

| website = {{URL|classic.chem.msu.su/gran/gamess}}

}}

'''Firefly''', formerly known as 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 substantially rewritten (about 60-70% of the code), especially in platform-specific parts ([[memory allocation]], disk [[input/output]], [[computer network|network]]), [[mathematic]] functions (e.g., [[matrix operation]]s), and [[quantum chemistry|quantum chemical]] methods (such as [[Hartree&ndash;Fock]], [[Møller&ndash;Plesset perturbation theory]], and [[density functional theory]]). Therefore, it is significantly faster than the original GAMESS. The main maintainer of the program is Alex Granovsky. Since October 2008 the project is no longer associated with [[GAMESS (US)]] and the Firefly name was created. Until October 17, 2009 both names could be used but thereafter the package should be referred to as Firefly exclusively.<ref name="bare_url">[http://classic.chem.msu.su/gran/gamess/ Firefly Home Page]</ref>

As of December 4, 2009, the support of any PC GAMESS versions earlier than the first PC GAMESS/ Firefly version 7.1.C is being abandoned, (and any and all licenses to use the code are revoked). ThereforeThus, users of the outdated PC GAMESS binaries (version 7.1.B and all earlier releases) are required to discontinue their use of the PC GAMESS and upgrade to Firefly.<ref name="bare_url" />

A state of the art edition of Firefly has been launched as Firefly v. 8.0.0 RC on July 25, 2012 for public beta testing. A relative comparison has shown that it is muchfar faster and more reliable than its previousprior edition Firefly v. 7.1.G. Many changes have been made to enhance its capabilitiesabilities.

==See also==

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==External links==

* {{Official website|classic.chem.msu.su/gran/gamess}}

* [http://redandr.ca/bench/ PC GAMESS SCF Benchmark]