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| [http://www.cpmd.org/ CPMD] (Car-Parrinello molecular dynamics) is a parallelized plane wave/pseudopotential implementation of | | [http://www.cpmd.org/ Carr-Parrinello Molecular Dynamics] is a parallelized plane wave/pseudopotential implementation of |
| [[density-functional theory]], particularly designed for [[Ab initio molecular dynamics |''ab-initio'' molecular dynamics]]. | | [[density-functional theory]], particularly designed for ''ab-initio'' [[Ab initio molecular dynamics |molecular dynamics]]. |
| CPMD is copyrighted jointly by IBM Corp and by Max Planck Institute, Stuttgart, and is distributed free of charge to non-profit organizations.
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| ==References==
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| *[http://dx.doi.org/10.1016/S0167-8191(00)00014-4 Wanda Andreoni and Alessandro Curioni "New advances in chemistry and materials science with CPMD and parallel computing", Parallel Computing '''26''' pp. 819-842 (2000)]
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| *[http://dx.doi.org/10.1016/j.parco.2004.12.004 Jürg Hutter and Alessandro Curioni "Dual-level parallelism for ab initio molecular dynamics: Reaching teraflop performance with the CPMD code", Parallel Computing '''31''' pp. 1-17 (2005)]
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| [[Category: Materials modelling and computer simulation codes]] | | [[Category: Materials modelling and computer simulation codes]] |