Cctk

Latest version: v0.2.26

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0.2.20

Before this release, you could generate cctk.Molecule objects from SMILES strings via RDKit, but the charge information was just discarded. This is stupid because SMILES contains charge information and cctk.Molecule objects also contain charge information. This has now been fixed.

0.2.19

minor stuff, just some surprising undocumented behavior I'm removing

0.2.18

No feature enhancements - bringing things more in line with Python best practices, to remove warning messages from e.g. ``pkg_resources`` (which is moving towards deprecation). Linting also caught some bugs...

0.2.17

Vastly improved parsing of ORCA files.

0.2.16

As the title implies.

0.2.15

As the title describes, for *presto*.

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