Massively parallel quantum chemistry

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| programming language = C++, C and FORTRAN 77

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| genre = Computational chemistry

| license = GNU General Public License

| website = {{URL|http://www.mpqc.org/}}

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Massively Parallel Quantum Chemistry (MPQC) is an ab initio computational chemistry software program. Three features distinguish it from other quantum chemistry programs such as Gaussian and GAMESS: it is open-source, has an object-oriented design, and is created from the beginning as a parallel processing program.{{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 }} It is available in Ubuntu and Debian.{{cite web | url=http://packages.ubuntu.com/search?keywords=mpqc | title=Ubuntu – Package Search Results -- mpqc | access-date=2017-08-08}}{{cite web | url=http://packages.debian.org/search?keywords=mpqc | title=Debian -- Package Search Results -- mpqc | access-date=2017-08-08}}

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.