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Fix: Support pseudopotential with dense grid #3678

Merged
merged 8 commits into from
Mar 8, 2024
Merged

Fix: Support pseudopotential with dense grid #3678

merged 8 commits into from
Mar 8, 2024

Commits on Mar 4, 2024

  1. <Fix> Fix the "Error: xhegvd failed!" when running KSDFT with al_lps.cpi

    @sunliang98
    sunliang98 committed Mar 4, 2024
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  2. <TEST> Add two integrate tests for LPS 

    101_PW_lps_pseudopots and 907_OF_LPS
    @sunliang98
    sunliang98 committed Mar 4, 2024
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  3. Merge branch 'develop' of https://github.com/deepmodeling/abacus-develop 

     into lps
    @sunliang98
    sunliang98 committed Mar 4, 2024
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Commits on Mar 5, 2024

  1. <Fix> Correct the atom label read from BLPS

    @sunliang98
    sunliang98 committed Mar 5, 2024
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  2. Merge branch 'develop' into lps

    @sunliang98
    sunliang98 committed Mar 5, 2024
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  3. <Test> Update BLPS part of read_pp_test.cpp

    @sunliang98
    sunliang98 committed Mar 5, 2024
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  4. Merge branch 'develop' into lps

    @sunliang98
    sunliang98 committed Mar 5, 2024
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Commits on Mar 8, 2024

  1. Merge branch 'develop' into lps

    @sunliang98
    sunliang98 committed Mar 8, 2024
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