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Fix: correct the unit conversion between Plumed and ASE in example#6993

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mohanchen merged 2 commits intodeepmodeling:developfrom
kirk0830:ase-mtd-unitcorr
Mar 4, 2026
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Fix: correct the unit conversion between Plumed and ASE in example#6993
mohanchen merged 2 commits intodeepmodeling:developfrom
kirk0830:ase-mtd-unitcorr

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@kirk0830 kirk0830 commented Mar 4, 2026

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  • Have you linked an issue with this pull request?
  • Have you added adequate unit tests and/or case tests for your pull request?
  • Have you noticed possible changes of behavior below or in the linked issue?
  • Have you explained the changes of codes in core modules of ESolver, HSolver, ElecState, Hamilt, Operator or Psi? (ignore if not applicable)

Linked Issue

Fix #6992

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@mohanchen mohanchen added Refactor Refactor ABACUS codes Interfaces Interfaces with other packages labels Mar 4, 2026
@mohanchen mohanchen merged commit d999af7 into deepmodeling:develop Mar 4, 2026
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@kirk0830 kirk0830 deleted the ase-mtd-unitcorr branch March 4, 2026 09:36
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Bug: the unit conversion between PLUMED and ASE in example is incorrect

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