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Feature: Support outputting partial charge densities for different k-points and spins separately when using PW basis set #4829

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merged 17 commits into from
Aug 1, 2024

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AsTonyshment
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Fix #4804

What's changed?

Now, PW supports outputting partial charge densities for different k-points and spins separately, controlled by the INPUT parameter if_separate_k.

@AsTonyshment AsTonyshment requested a review from mohanchen July 29, 2024 17:01
@AsTonyshment AsTonyshment added the Features Needed The features are indeed needed, and developers should have sophisticated knowledge label Jul 29, 2024
@AsTonyshment AsTonyshment requested a review from mohanchen July 31, 2024 09:15
@mohanchen mohanchen merged commit ef393d8 into deepmodeling:develop Aug 1, 2024
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@AsTonyshment AsTonyshment deleted the PW_separate_k branch August 1, 2024 01:52
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