Cp2kOutput.parse_initial_structure() use regex for line matching to allow arbitrary white space between Atom/Kind/Element/... by @janosh in materialsproject/pymatgen#3810
Cp2kOutput.parse_initial_structure() use regex for line matching to allow arbitrary white space between Atom/Kind/Element/... by @janosh in materialsproject/pymatgen#3810
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Bumps pymatgen from 2023.5.10 to 2024.6.4.
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Sourced from pymatgen's releases.
... (truncated)
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Sourced from pymatgen's changelog.
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Commits
163cc01
v2024.6.4d38aee2
update tests/files/.pytest-split-durationsc55e056
Add new.pmgrc.yaml
settingPMG_VASP_PSP_SUB_DIRS: dict[str, str]
(#3858)eed8403
Clarify argumentshift
forSlabGenerator.get_slab
(#3748)d1fac20
Add CI run without'optional'
deps installed (#3857)1a5af18
Fix filter condition for warn msg of unphysical site occupancy inio.cif
(#...eccf075
Run CI with two differentuv
resolution strategies:highest
and `lowest-d...2982968
v2024.5.31c70e5b8
Add type annotations forio.vasp.outputs
(#3776)cd8846b
Update reqs.Dependabot will resolve any conflicts with this PR as long as you don't alter it yourself. You can also trigger a rebase manually by commenting
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