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Merge branch 'main' of github.com:materialsproject/atomate2
2 parents 623d56c + dee400d commit 83be365

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.pre-commit-config.yaml

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@@ -18,7 +18,7 @@ repos:
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- --remove-unused-variable
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- --ignore-init-module-imports
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- repo: https://github.com/psf/black
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rev: 21.11b1
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rev: 21.12b0
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hooks:
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- id: black
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- repo: https://github.com/asottile/blacken-docs

src/atomate2/vasp/schemas/calc_types/run_types.yaml

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@@ -88,6 +88,7 @@ VDW:
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optB88-vdW:
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AGGAC: 0.0
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GGA: BO
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LASPH: true
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LUSE_VDW: true
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PARAM1: 0.1833333333
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PARAM2: 0.22
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Zab_vdW: -1.8867
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BEEF-vdW:
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GGA: BF
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Zab_vdW: -1.8867
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LASPH: true
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LUSE_VDW: true
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Zab_vdW: -1.8867

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