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Modify post_fp_cp2k, adapt to SCF not converged situation. #1562

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Modify post_fp_cp2k, adapt to SCF not converged situation. #1562

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Commits on Apr 10, 2024

  1. Modify the post_fp_cp2k function to generate multisystem data. Allows… 

    … to run different system at one single iteration model_devi step.
    @dulinhan
    dulinhan committed Apr 10, 2024
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Commits on May 28, 2024

  1. Increase the robustness of cp2k post fp (when scf not converged occurs)

    @dulinhan
    dulinhan committed May 28, 2024
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Commits on Jun 7, 2024

  1. Merge branch 'devel' of https://github.com/dulinhan/dpgen into modify… 

    …_post_fp_cp2k
    @dulinhan
    dulinhan committed Jun 7, 2024
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  2. [pre-commit.ci] auto fixes from pre-commit.com hooks 

    for more information, see https://pre-commit.ci
    @pre-commit-ci
    pre-commit-ci[bot] committed Jun 7, 2024
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Commits on Jul 10, 2024

  1. Merge branch 'devel' into modify_post_fp_cp2k

    @dulinhan
    dulinhan authored Jul 10, 2024
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