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Fix: fix accessing out-of-bounds in `save_DMR()` with changed `nnr` #3620

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dyzheng merged 2 commits into deepmodeling:develop from WHUweiqingzhou:fix_dmr_save

Feb 20, 2024

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WHUweiqingzhou commented Feb 20, 2024 •

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Fix #3621.


          fix accessing out-of-bounds in save_DMR() with changed nnr

8da6536

WHUweiqingzhou self-assigned this


          Merge branch 'develop' into fix_dmr_save

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caic99 approved these changes

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dyzheng approved these changes

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dyzheng mentioned this pull request

DFT+U: develop a new DFT+U method with variable projectors for on-site occupations. #3588

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dyzheng merged commit 4ddd285 into deepmodeling:develop

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WHUweiqingzhou deleted the fix_dmr_save branch

February 23, 2024 03:22

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