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Massively parallel quantum chemistry
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{{Infobox software | name = | title = | logo = <!-- Image name is enough --> | logo caption = | logo_size = | logo_alt = | screenshot = <!-- Image name is enough --> | caption = | screenshot_size = | screenshot_alt = | collapsible = | author = | developer = | released = <!-- {{Start date and age|YYYY|MM|DD|df=yes/no}} --> | discontinued = | latest release version = | latest release date = <!-- {{Start date and age|YYYY|MM|DD|df=yes/no}} --> | latest preview version = | latest preview date = <!-- {{Start date and age|YYYY|MM|DD|df=yes/no}} --> | status = | programming language = [[C++]], [[C (programming language)|C]] and [[FORTRAN 77]] | operating system = | platform = | size = | language = | language count = <!-- DO NOT include this parameter unless you know what it does --> | language footnote = | genre = [[Computational chemistry]] | license = [[GNU General Public License]] | website = {{URL|http://www.mpqc.org/}} }} '''Massively Parallel Quantum Chemistry''' ('''MPQC''') is an [[Ab initio quantum chemistry methods|ab initio]] [[computational chemistry]] [[software]] program.<ref name="PirhadiSunseri2016"/> Three features distinguish it from other quantum chemistry programs such as [[Gaussian (software)|Gaussian]] and [[GAMESS]]: it is [[open-source software|open-source]], has an [[object-oriented]] design, and is created from the beginning as a [[Parallel computing|parallel processing]] program.<ref>{{cite book | last1 = Janssen| first1 = Curtis L.| last2 = Nielsen| first2 = Ida M. B.| title = Parallel Computing in Quantum Chemistry| url = https://archive.org/details/parallelcomputin00jans_473| url-access = limited| publisher = CRC Press| date = 2008 | location = Boca Raton, Florida | pages = [https://archive.org/details/parallelcomputin00jans_473/page/n27 5]| isbn = 978-1-4200-5164-3 }}</ref> It is available in [[Ubuntu (operating system)|Ubuntu]] and [[Debian]].<ref>{{cite web | url=http://packages.ubuntu.com/search?keywords=mpqc | title=Ubuntu – Package Search Results -- mpqc | access-date=2017-08-08}}</ref><ref>{{cite web | url=http://packages.debian.org/search?keywords=mpqc | title=Debian -- Package Search Results -- mpqc | access-date=2017-08-08}}</ref> MPQC provides implementations for a number of important methods for calculating electronic structure, including [[Hartree–Fock]], [[Møller–Plesset perturbation theory]] (including its explicitly correlated linear R12 versions), and [[density functional theory]].
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