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Add "#TOTAL ENERGY#" after each ion step

@mohanchen mohanchen requested a review from lanshuyue June 28, 2025 14:10
@mohanchen mohanchen added Bugs Bugs that only solvable with sufficient knowledge of DFT Refactor Refactor ABACUS codes labels Jun 28, 2025
@mohanchen mohanchen merged commit e7917d4 into deepmodeling:develop Jul 1, 2025
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Bugs Bugs that only solvable with sufficient knowledge of DFT Refactor Refactor ABACUS codes

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