Cclib

Latest version: v1.8.1

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1.6

**Summary of changes since last version**

* New parser: cclib can now parse Molcas files (Kunal Sharma)
* New parser: cclib can now parse Turbomole files (Christopher Rowley, Kunal Sharma)
* New script: ccframe writes data table files from logfiles (Felipe Schneider)
* Support time attribute and BOMD output in Gaussian, NWChem, ORCA and QChem
* Support package version in metadata for most parsers
* Many other minor improvements and bug fixes from Jonathon Vandezande, Jaime Rodríguez-Guerra and others

1.5.3

**Summary of changes since last version**
* New attribute transprop for electronic transitions
* Support grads attribute in Psi4 and Molpro
* Support optstatus for IRCs and in Psi4
* Updated test file versions to Gaussian16
* Many other minor improvements and bug fixes

1.5.2

**Summary of changes since last version**
* Support for writing Molden and WFX files
* Support for thermochesmitry attributes in ORCA
* Support for chelpg atomic charges in ORCA
* Many other minor improvements and bug fixes

1.5.1

**Summary of changes since last version**

* New attribute polarizabilities for static or dynamic dipole polarizability
* New attribute pressure for thermochemistry
* Detecting closed shells in parsed data
* Support for Python 3.6

1.5

**Summary of changes since last version**
- Support for both reading and writing CJSON (Sanjeed Schamnad)
- New parser: cclib can now parse MOPAC files (Geoff Hutchison)
- New attribute time tracks coordinated for dynamics jobs (Ramon Crehuet)
- New attribute metadata holds miscellaneous information not in other attributes (bwang2453)
- Extract moments attribute for Gaussian (Geoff Hutchison)
- Extract atombasis for ADF in simple cases (Felix Plaser)
- License change to BSD 3-Clause License

1.4.1

Maintenance release that also includes preliminary support for writing CJSON.

Note: this release tag might contain some commits from cclib/cclib249 or other pull requests in its history.

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