Equation of State workflow for FHI-aims #889
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janosh
approved these changes
Jun 22, 2024
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| @classmethod | ||
| def from_parameters(cls, parameters: dict[str, Any], **kwargs) -> AimsEosMaker: |
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minor nitpick but i would prob call this from_params for brevity.
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This method is usually called from_parameters in aims workflows, I'd leave it as it is for compatibility
janosh
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Hi, is there anything else we can do with the pull request? |
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thanks again @ansobolev, i'll go ahead and merge this! 👍 |
BryantLi-BLI
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Jul 29, 2024
* Added EOS FHI-aims workflow * Added tmp_path to phonon tests * Added test data for EOS workflow * Tests changed for older Pymatgen version * simplify from_parameters * Change the test reference value --------- Co-authored-by: Janosh Riebesell <[email protected]>
hrushikesh-s
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Nov 16, 2024
* Added EOS FHI-aims workflow * Added tmp_path to phonon tests * Added test data for EOS workflow * Tests changed for older Pymatgen version * simplify from_parameters * Change the test reference value --------- Co-authored-by: Janosh Riebesell <[email protected]>
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