Cclib

Latest version: v1.8.1

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1.7.1

**Summary of change since last version**

- New parser: formatted checkpoint files
- New attribute: nmrtensors for nuclear magnetics resonance chemical shielding tensors
- Many additional improvements and fixes, see changelog for details

1.7

**Summary of changes since last version**

* Dropping support for Python 2
* SciPy is now a hard dependency for cclib
* Several minor improvements, see changelog for details

1.6.4

**Summary of changes since last version**

* [GSOC2020] New methods: Bader's QTAIM, Bickelhaupt, Stockholder, Hirshfeld, and DDEC6 partial charges (Minsik Cho)
* [GSOC2020] New bridge to Horton (Minsik Cho)
* New bridge to Atomic Simulation Environment (Felipe S. S. Schneider)
* New bridge to PySCF (Amanda Dumi)
* Other minor improvements and bug fixes, see changelog for details

1.6.3

**Summary of changes since last version**

* New bridge to Psi4 (Felipe S. S. Schneider)
* New attributes zpve (kuriba) and for electric transition dipoles (mwykes)
* Support fuzzy matching of attribute in ccget script
* Other minor improvements and bug fixes, see changelog for details

1.6.2

**Summary of changes since last version**
* Molden writer now supports ghost atoms (Shiv Upadhyay)
* Updated regression testing framework (Amanda Dumi, Shiv Upadhyay)
* Fixed parsing ORCA output in several cases (Felix Plasser)
* Other minor improvements and bug fixes

1.6.1

**Summary of changes since last version**

* New attributes nsocoeffs and nsooccnos for natural spin orbital coefficients (Shiv Upadhyay)
* New methods for alpha and beta electron counts (Jaime Rodríguez-Guerra)
* Support coreelectrons attribute in Molcas (Kunal Sharma)
* Support etoscs for response calculations in Dalton (Peter Reinholdt)
* Updated testing framework (Jaime Rodríguez-Guerra, Maxim Stolyarchuk and others)
* Many other minor improvements and bug fixes from Alessandro Genova. Felipe S. S. Schneider and others

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