atomate2.forcefields.mdΒΆ
Makers to perform MD with forcefields.
Classes
Perform an MD run with CHGNet. |
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Perform MD with a force field. |
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Perform an MD run with GAP. |
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Perform an MD run with M3GNet. |
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Perform an MD run with MACE. |
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Perform an MD run with NEP. |
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Perform an MD run with nequip. |
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bool(x) -> bool |