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Refactor symmetr.cpp, update some output formats in surfchem, etc.#6052

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mohanchen merged 12 commits into
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mohanchen:develop
Mar 25, 2025
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Refactor symmetr.cpp, update some output formats in surfchem, etc.#6052
mohanchen merged 12 commits into
deepmodeling:developfrom
mohanchen:develop

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Refactor symmetr.cpp, update some output formats in surfchem, etc.

@mohanchen mohanchen added Input&Output Suitable for coders without knowing too many DFT details The Absolute Zero Reduce the "entropy" of the code to 0 labels Mar 25, 2025
@mohanchen mohanchen requested a review from Qianruipku March 25, 2025 08:46
@mohanchen mohanchen merged commit 239cc0a into deepmodeling:develop Mar 25, 2025
Fisherd99 pushed a commit to Fisherd99/abacus-BSE that referenced this pull request Mar 31, 2025
…eepmodeling#6052)

* update symmetry output format

* update symmetry

* update symmetry

* refactor symmetry.cpp

* update Makefile.Objects

* update cmakelists

* update symmetry files

* update outputs

* update k point

* update output of surfchem

* update documents about KPT.info

* update symmetry files
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Input&Output Suitable for coders without knowing too many DFT details The Absolute Zero Reduce the "entropy" of the code to 0

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