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Add HSE-specific vdW parameters for dftd3 and dftd3-bj to MPHSERelaxSet. #3914

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Add HSE-specific vdW parameters for dftd3 and dftd3-bj to MPHSERelaxSet. #3914

wants to merge 9 commits into from

Commits on Jun 26, 2024

  1. Add VASP setting for the dftd4 vdW functional.

    @hongyi-zhao
    hongyi-zhao committed Jun 26, 2024
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Commits on Jun 28, 2024

  1. Merge branch 'master' of https://github.com/materialsproject/pymatgen

    @hongyi-zhao
    hongyi-zhao committed Jun 28, 2024
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Commits on Jun 29, 2024

  1. Merge branch 'master' of https://github.com/materialsproject/pymatgen

    @hongyi-zhao
    hongyi-zhao committed Jun 29, 2024
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Commits on Jul 3, 2024

  1. Merge branch 'master' of https://github.com/materialsproject/pymatgen

    @hongyi-zhao
    hongyi-zhao committed Jul 3, 2024
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  2. Merge branch 'master' of https://github.com/materialsproject/pymatgen

    @hongyi-zhao
    hongyi-zhao committed Jul 3, 2024
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  3. Merge branch 'master' of https://github.com/materialsproject/pymatgen

    @hongyi-zhao
    hongyi-zhao committed Jul 3, 2024
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Commits on Jul 6, 2024

  1. Support PBE_64 POTCAR in MPScanRelaxSet 

    - Added PBE_64 to the list of valid POTCARs.
- Updated documentation to include PBE_64.
    @hongyi-zhao
    hongyi-zhao committed Jul 6, 2024
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Commits on Jul 7, 2024

  1. Add HSE-specific vdW parameters to MPHSERelaxSet 

    * Add HSE-optimized vdW parameters for dftd3 and dftd3-bj
    @hongyi-zhao
    hongyi-zhao committed Jul 7, 2024
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  2. pre-commit auto-fixes

    @pre-commit-ci
    pre-commit-ci[bot] committed Jul 7, 2024
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