atomate2.common.flowsΒΆ
DFT code agnostic flows.
Modules
Flows used in the calculation of defect properties. |
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Flows for calculating elastic constants. |
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Flow for electrode analysis. |
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Define common EOS flow agnostic to electronic-structure code. |
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Flows for calculating magnetic orderings and other magnetism-related tasks. |
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Flows for calculating phonons. |