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Feature: Support cube format real-space wave function output for Plane Wave basis set #6217

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Feature: Support cube format real-space wave function output for Plane Wave basis set #6217

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@AsTonyshment AsTonyshment commented May 14, 2025 •
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Fix #6216.

Further refactor will be carried out, and new integrate tests will be added. out_wfc_r will be fully replaced by out_wfc_norm and out_wfc_re_im in the future.

@AsTonyshment AsTonyshment requested a review from mohanchen May 14, 2025 12:39
@AsTonyshment AsTonyshment marked this pull request as draft May 15, 2025 02:02
@AsTonyshment AsTonyshment marked this pull request as ready for review May 16, 2025 12:30
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Feature Request: Support cube format real-space wave function output for Plane Wave basis set
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@AsTonyshment