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Fix: skip mix_dmr after the last iteration #6331

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Merged
merged 2 commits into from
Jun 24, 2025
Merged

Fix: skip mix_dmr after the last iteration #6331

merged 2 commits into from
Jun 24, 2025

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dzzz2001
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Fix issue #6323

What's changed?

  • cancel the mix_dmroperation after last iteration, and some reference values related to mix_dmr feature in the tests are modified.

@dzzz2001 dzzz2001 requested a review from mohanchen June 24, 2025 08:46
@dzzz2001 dzzz2001 changed the title Fix: skip mix_dmr after last iteration Fix: skip mix_dmr after the last iteration Jun 24, 2025
@mohanchen mohanchen added Features Needed The features are indeed needed, and developers should have sophisticated knowledge Bugs Bugs that only solvable with sufficient knowledge of DFT Refactor Refactor ABACUS codes and removed Features Needed The features are indeed needed, and developers should have sophisticated knowledge labels Jun 24, 2025
@mohanchen mohanchen merged commit 2861312 into deepmodeling:develop Jun 24, 2025
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@mohanchen mohanchen mohanchen approved these changes

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Bugs Bugs that only solvable with sufficient knowledge of DFT Refactor Refactor ABACUS codes
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