Difference between revisions of "Software:cpmd"
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== Car-Parinello Molecular Dynamics (CPMD) == | == Car-Parinello Molecular Dynamics (CPMD) == | ||
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The CPMD code is a parallelized plane wave/pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio Molecular Dynamics simulation as described by Car and Parinello. CPMD runs on many different computer architectures and it is well parallelized. | The CPMD code is a parallelized plane wave/pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio Molecular Dynamics simulation as described by Car and Parinello. CPMD runs on many different computer architectures and it is well parallelized. | ||
* '''Current Version''': 3.13 | * '''Current Version''': 3.13 | ||
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* '''Related link''': For more information go to [http://www.cpmd.org/ the CPMD consortium page] | * '''Related link''': For more information go to [http://www.cpmd.org/ the CPMD consortium page] | ||
* '''Statement''': [http://www.hpcvl.org/sites/default/files/hpvcl_cpmd_statement.pdf Required to access the software] | * '''Statement''': [http://www.hpcvl.org/sites/default/files/hpvcl_cpmd_statement.pdf Required to access the software] | ||
| − | * '''Help File''': [[HowTo:cpmd|Car-Parinello Molecular | + | * '''Help File''': [[HowTo:cpmd|Car-Parinello Molecular Dynamics Help file]] |
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* '''Related Software''': | * '''Related Software''': | ||
Latest revision as of 19:41, 30 May 2016
Car-Parinello Molecular Dynamics (CPMD)
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The CPMD code is a parallelized plane wave/pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio Molecular Dynamics simulation as described by Car and Parinello. CPMD runs on many different computer architectures and it is well parallelized.
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- Related Software:
