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Merge branch 'master' into get_el_sp-isotope-unit-test
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DanielYang59 authored Jan 2, 2025
2 parents 9e693c7 + 1abc459 commit 6f1e27a
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Showing 18 changed files with 172 additions and 477 deletions.
2 changes: 1 addition & 1 deletion pyproject.toml
Original file line number Diff line number Diff line change
Expand Up @@ -107,7 +107,7 @@ optional = [
"hiphive>=1.3.1",
"jarvis-tools>=2020.7.14",
"matplotlib>=3.8",
"phonopy>=2.23",
"phonopy>=2.33.3",
"seekpath>=2.0.1",
]
# tblite only support Python 3.12+ through conda-forge
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132 changes: 0 additions & 132 deletions src/pymatgen/command_line/OxideTersoffPotentials

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79 changes: 0 additions & 79 deletions src/pymatgen/command_line/bush.lib

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2 changes: 1 addition & 1 deletion src/pymatgen/command_line/critic2_caller.py
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Expand Up @@ -766,7 +766,7 @@ def get_volume_and_charge(nonequiv_idx):
def _parse_stdout(self, stdout):
warnings.warn(
"Parsing critic2 standard output is deprecated and will not be maintained, "
"please use the native JSON output in future.",
"please use the native JSON output in the future.",
DeprecationWarning,
stacklevel=2,
)
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