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Update references, do some typing.
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andrewtarzia committed Oct 29, 2023
1 parent c92fb13 commit 714189c
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Showing 3 changed files with 145 additions and 196 deletions.
3 changes: 1 addition & 2 deletions src/stko/calculators/open_babel_calculators.py
Original file line number Diff line number Diff line change
Expand Up @@ -48,8 +48,7 @@ class OpenBabelEnergy(Calculator):

References
----------
.. [1] http://openbabel.org/dev-api/classOpenBabel_1_
1OBForceField.shtml#a2f2732698efde5c2f155bfac08fd9ded
.. [1] https://github.com/openbabel/openbabel

"""

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3 changes: 1 addition & 2 deletions src/stko/calculators/shape_calculators.py
Original file line number Diff line number Diff line change
Expand Up @@ -37,8 +37,7 @@ class ShapeCalculator(Calculator):

References
----------
.. [1]
https://www.rdkit.org/docs/source/rdkit.Chem.Descriptors3D.html
.. [1] https://www.rdkit.org/docs/source/rdkit.Chem.Descriptors3D.html

"""

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