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add #TOTAL ENERGY# for each ion step #6338

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add #TOTAL ENERGY# for each ion step #6338

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add #TOTAL ENERGY# for each ion step

@mohanchen mohanchen requested a review from lanshuyue June 26, 2025 14:52
@mohanchen mohanchen added Bugs Bugs that only solvable with sufficient knowledge of DFT Input&Output Suitable for coders without knowing too many DFT details Refactor Refactor ABACUS codes labels Jun 26, 2025
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Bugs Bugs that only solvable with sufficient knowledge of DFT Input&Output Suitable for coders without knowing too many DFT details Refactor Refactor ABACUS codes
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