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1 parent 4bab289 commit a8098f9Copy full SHA for a8098f9
pyproject.toml
@@ -121,7 +121,7 @@ strict-openff = [
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"monty==2025.3.3",
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"openmm-mdanalysis-reporter==0.1.0",
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"openmm==8.1.1",
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- "pymatgen==2024.11.13", # TODO: open ff is extremely sensitive to pymatgen version
+ "pymatgen==2025.6.14", # TODO: open ff is extremely sensitive to pymatgen version
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]
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strict-forcefields = [
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"calorine==3.1",
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