{"library":"cclib","type":"library","category":null,"description":"cclib is an open-source Python library designed for parsing and interpreting output files from various computational chemistry packages. It provides a consistent interface to extract data like geometries, energies, orbitals, and vibrational modes, facilitating the implementation of package-independent algorithms. The current stable version is 1.8.1, with a major version 2.0 actively in alpha development, which is expected to introduce significant architectural and API changes.","language":"python","status":"active","version":"1.8.1","tags":["computational chemistry","parser","quantum chemistry","cheminformatics","logfile","data extraction"],"last_verified":"Mon May 25","install":[{"cmd":"pip install cclib","imports":["from cclib.io import ccread","from cclib.io import ccopen","from cclib.parser import Gaussian"]}],"homepage":"https://cclib.github.io","github":"https://github.com/cclib/cclib","docs":"http://cclib.github.io/","changelog":"https://github.com/cclib/cclib/blob/master/doc/sphinx/changelog.rst","pypi":"https://pypi.org/project/cclib/","npm":null,"openapi_spec":null,"status_page":null,"smithery":null,"compatibility":{"summary":{"python_range":"3.10–3.9","success_rate":100,"avg_install_s":7.7,"avg_import_s":2.07,"wheel_type":"wheel"},"url":"https://checklist.day/v1/registry/cclib/compatibility"}}