Cclib

Latest version: v1.8.1

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1.2b

This is the beta release before [v1.2](https://github.com/cclib/cclib/releases/tag/v1.2)


v1.1-retro

1.1

- Move project to github
- Transition to Python 3 (Python 2.7 will still work)
- Add a multifile mode to ccget script
- Extract vibrational displacements for ORCA
- Extract natural atom charges for Gaussian (Fedor Zhuravlev)
- Updated test files to ADF2013.01, GAMESS-US 2012, Gaussian09, Molpro 2012 and ORCA 3.0.1
- Many bugfixes, thanks to Scott McKechnie, Tamilmani S, Melchor Sanchez, Clyde Fare, Julien Idé and Andrew Warden

1.0.1

- Support ONIOM calculations in Gaussian (Karen Hemelsoet)
- New attribute atomcharges extracts Mulliken and Lowdin atomic charges if present
- New attribute atomspins extracts Mulliken and Lowdin atomic spin densities if present
- New thermodynamic attributes: freeenergy, temperature, enthalpy (Edward Holland)
- Extract PES information: scanenergies, scancoords, scanparm, scannames (Edward Holland)
- Many bugfixes, thanks to Björn Dahlgren, Jerome Kieffer, Pavel Solntsev, Chengju Wang and Björn Baumeier

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