ben-chem-tools 0.3.0__tar.gz → 0.4.0__tar.gz
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- {ben_chem_tools-0.3.0 → ben_chem_tools-0.4.0}/PKG-INFO +1 -1
- {ben_chem_tools-0.3.0 → ben_chem_tools-0.4.0}/pyproject.toml +1 -1
- {ben_chem_tools-0.3.0 → ben_chem_tools-0.4.0}/src/ben_chem_tools/geometries.py +1 -1
- {ben_chem_tools-0.3.0 → ben_chem_tools-0.4.0}/README.md +0 -0
- {ben_chem_tools-0.3.0 → ben_chem_tools-0.4.0}/src/ben_chem_tools/__init__.py +0 -0
- {ben_chem_tools-0.3.0 → ben_chem_tools-0.4.0}/src/ben_chem_tools/input_creation.py +0 -0
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@@ -79,7 +79,7 @@ class xyz_molecule:
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def from_cclib_vals(cls,atom_nums,atom_coords):
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acc = []
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for atom_num,atom_coord in zip(atom_nums,atom_coords):
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-
acc.append(xyz_atom.from_cclib_vals(atom_num,
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+
acc.append(xyz_atom.from_cclib_vals(atom_num,atom_coord))
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return cls(acc)
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@classmethod
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