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@kirk0830 kirk0830 commented Nov 1, 2024

Reminder

  • 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 #5387

Unit Tests and/or Case Tests for my changes

  • A unit test is added for each new feature or bug fix.

What's changed?

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@mohanchen mohanchen added the Refactor Refactor ABACUS codes label Nov 1, 2024
@mohanchen mohanchen merged commit 0f44046 into deepmodeling:develop Nov 1, 2024
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@kirk0830 kirk0830 deleted the fix-molden-stru branch November 1, 2024 09:04
Fisherd99 pushed a commit to Fisherd99/abacus-BSE that referenced this pull request Mar 31, 2025
…pmodeling#5388)

* Fix: widen the range of support on STRU file of Molden interface

* minor fix
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Refactor Refactor ABACUS codes

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Bug: the molden file interface of ABACUS LCAO cannot parse STRU file if use Cartesian_angstrom_*

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