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gamma point check fix #1

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@lensonp lensonp commented Jun 9, 2021

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dongsenfo and others added 4 commits October 20, 2022 14:05
-Added attributes for md
-updated start method for cp calculations
-updated writeinputfile method for md flahs
-added run_md method for bo and cp md
-Added attributes for md
-updated start method for cp calculations
-updated writeinputfile method for md flahs
-added run_md method for bo and cp md
update run_md methods with more flags and functionality to restart from dir
lensonp and others added 11 commits December 9, 2022 12:28
fixed Config vs. config naming error
fixed the right file this time
Delete old__init__.py kept from previous testing
Delete old__init__.py kept from previous testing
Fixed syntax in run_md method and add orthogonalization flag
updated dtype args for numpy deprecations
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2 participants