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Fix #5856

What's changed?

  • Update pdm before outputting DeePKS labels
  • Rename cal_gedm as cal_edelta_gedm for clarity

Unit Tests and/or Case Tests for my changes

  • update deepks tests because of updating pdm

@mohanchen mohanchen added Refactor Refactor ABACUS codes Machine Learning Issues related to the DeePKS labels Jan 13, 2025
@mohanchen mohanchen merged commit b809ce6 into deepmodeling:develop Jan 13, 2025
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@xuan112358 xuan112358 deleted the dm_after_diag branch January 14, 2025 09:02
Fisherd99 pushed a commit to Fisherd99/abacus-BSE that referenced this pull request Mar 31, 2025
* rename cal_gedm as cal_edelta_gedm

* Update pdm and other properties before outputting deeepks labels

* fix bug of include

* change test ref because of updating pdm
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Machine Learning Issues related to the DeePKS Refactor Refactor ABACUS codes

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DeePKS should update pdm before outputting labels

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