Firefly (computer program): Difference between revisions

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'''PC GAMESS/Firefly''' 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 mostly been rewritten (about 60-70% of the code), especially in platform-specific parts ([[memory allocation]], disk [[Output|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. From October 2008, the project is dissociated from GAMESS (US) and the Firefly name was added. Up to October 17, 2009, both names will be used but thereafter the package will be known solely as Firefly.<ref name="bare_url">[http://classic.chem.msu.su/gran/gamess/ PC GAMESS Home Page]</ref>