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Add normalization procedure for partial charge in multi-k calculations when if_separate_k=1 #4724

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merged 1 commit into from
Jul 17, 2024

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Fix #4723

@AsTonyshment AsTonyshment requested a review from mohanchen July 17, 2024 08:50
@AsTonyshment AsTonyshment changed the title Add normalization procedure for partial charge in multi-k calculations when if_separate_k = 1 Add normalization procedure for partial charge in multi-k calculations when if_separate_k=1 Jul 17, 2024
@mohanchen mohanchen merged commit 629ba64 into deepmodeling:develop Jul 17, 2024
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@AsTonyshment AsTonyshment deleted the multi-k-charge branch July 17, 2024 09:49
@mohanchen mohanchen added the Features Needed The features are indeed needed, and developers should have sophisticated knowledge label Jul 18, 2024
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