[WIP] JDFTx ASE Calculator Revision#405
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benrich37 wants to merge 4 commits intoshankar1729:masterfrom
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[WIP] JDFTx ASE Calculator Revision#405benrich37 wants to merge 4 commits intoshankar1729:masterfrom
Calculator Revision#405benrich37 wants to merge 4 commits intoshankar1729:masterfrom
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benrich37
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Calculator RevisionCalculator Revision
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Revising provided ASE calculator object to follow new expect
CalculatorformatMajor Changes
pymatgen.io.jdftxCalculatortemplatepip install .at project room-- Importable as
jdftx.scripts--
jdftx.scripts.ase.JDFTx.JDFTxforCalculatorobject--
jdftx.scripts.foofor other supplemental python scriptsTODO