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materialsproject / pymatgen Public

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Add new `.pmgrc.yaml` setting `PMG_VASP_PSP_SUB_DIRS: dict[str, str]`#3858

Merged

janosh merged 6 commits intomastermaterialsproject/pymatgen:masterfrom pmg-vasp-psp-sub-dirsmaterialsproject/pymatgen:pmg-vasp-psp-sub-dirsCopy head branch name to clipboard

Jun 4, 2024

+52-31

Conversation Commits6 (6)Checks Files changed

Commits

Commits on Jun 3, 2024

add new PMG_VASP_PSP_SUB_DIRS SETTING used in from_symbol_and_functional to allow customizing currently hard-coded subfolder structure of PMG_VASP_PSP_DIR
janosh
committed
fix TestMatPESStaticSet.test_default and TestLobsterSet.test_potcar
janosh
committed
add TestPotcarSingle.test_from_symbol_and_functional_raises
janosh
committed
uncomment and fix test_default_functional
janosh
committed

Commits on Jun 4, 2024

del outdated test.yml comment
janosh
committed
try fix test_from_symbol_and_functional_raises on windows
janosh
committed

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