Comments (1)
Thank you for letting us know. It looks like the substituents, ligands, rings, and coordination complex files are also missing. These files should now be included in the PyPI distribution (1.0b16).
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Related Issues (19)
- Small bug in SubmitProcess HOT 1
- Hashing and comparison HOT 6
- Loading Gaussian16 Scan HOT 3
- Radii for lanthanides/actinides HOT 2
- substitute using IUPAC/SMILES is buggy HOT 1
- Better consistency between ORCA and Gaussian inputs HOT 10
- Allow use of BSE python module HOT 1
- parsing ORCA double hybrid with RI HOT 2
- all_geom HOT 4
- thermochem error for T = 0K HOT 3
- write orca SMD HOT 2
- int grids ORCA 5 HOT 2
- problem parsing HOT 2
- B2PLYP-D3 = B2PLYPD3 HOT 2
- basis/ecp HOT 1
- A bug in the AaronTools.geometry.Geometry.map_ligand() function HOT 3
- I failed map ligands in a purely organic system. HOT 4
- Gaussian 16 log file doesn't parse correctly HOT 1
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