atomate2.vasp.flows.coreΒΆ
Core VASP flows.
Classes
Maker to generate VASP band structures. |
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Maker to perform a double VASP relaxation. |
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Maker to generate VASP HSE band structures. |
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Maker to generate VASP HSE line mode band structures. |
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Maker to create HSE optical absorption calculation VASP jobs. |
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Maker to generate VASP HSE uniform band structures. |
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Maker to generate line mode VASP band structure. |
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Maker to create optical absorption calculation VASP jobs. |
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Maker to create a flow with a relaxation and then band structure calculations. |
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bool(x) -> bool |
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Maker to generate uniform VASP band structure. |