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MPQC

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Description: The "Massively Parallel Quantum Chemistry Program". Computes properties of atoms and molecules from first principles using the time independent Schrödinger equation. Free, available under the GPL.
The Massively Parallel Quantum Chemistry Program MPQC is the Massively Parallel Quantum Chemistry Program. It computes properties of atoms and molecules from first principles using the time independent Schrödinger equation. It runs on a wide range of architectures ranging from single many-core computers to massively parallel computers. Its design is object oriented, using the C++ programming language.
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WEBSITE Info

Page title:MPQC Home
Keywords:MPQC, HF, Hartree-Fock theory, SCF, self-consistent field theory, MP2
Description:The Massively Parallel Quantum Chemistry Program Home Page
IP-address:216.34.181.97

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Date
Creation Date: 2004-04-30T02:55:31Z
Expiry Date: 2015-04-30T02:55:31Z