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@zgn-26714 zgn-26714 commented Sep 6, 2025

Because the previous PR #6440 had an unresolved issue that was blocking the merge, I have now split the PR into several smaller PRs and resubmitted them.
Fix memory statistics error

  • The memory for the record variable hRGintCd was not accounted for.
  • When calculating the memory for the record variable DMRGint, it was multiplied by 4 twice.

@zgn-26714
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the test case "204_NO_KP_NC" can pass when tested locally
image
However, some numerical errors will occur on git.
image

@mohanchen
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Please close those PRs that are no longer valid

@zgn-26714 zgn-26714 closed this Sep 9, 2025
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2 participants