atomate2.common.schemasΒΆ
Common schemas used by multiple workflows.
Modules
Schemas for anharmonicity quantification. |
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Core definition of a cclib-generated task document. |
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General schemas for defect workflow outputs. |
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Schemas for elastic tensor fitting and related properties. |
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General schemas for Grueneisen parameter workflow outputs. |
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Schemas for magnetic ordering calculations. |
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Schemas for phonon documents. |
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Schemas for qha documents. |