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@kirk0830 kirk0830 commented Sep 3, 2025

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 #6469

What's changed?

  • remove the input script INPUTw, parameters still being used out_spillage and spillage_outdir are transferred to the domain of INPUT

Any changes of core modules? (ignore if not applicable)

no

@kirk0830 kirk0830 requested a review from mohanchen September 3, 2025 07:14
@mohanchen mohanchen added Refactor Refactor ABACUS codes The Absolute Zero Reduce the "entropy" of the code to 0 labels Sep 3, 2025
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Good job!

@mohanchen mohanchen merged commit 5b37f29 into deepmodeling:develop Sep 3, 2025
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@kirk0830 kirk0830 deleted the remove-inputw branch September 4, 2025 03:04
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Refactor Refactor ABACUS codes The Absolute Zero Reduce the "entropy" of the code to 0

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Delete the usage of INPUTs in pw calculations to output files for generating NAO basis set.

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