Metadata-Version: 1.1
Name: natorbs
Version: 1.0.1
Summary: quantum-chemical utility for computing natural orbitals
Home-page: https://tungsten.ch.uj.edu.pl/~mradon/natorbs
Author: Mariusz Radon
Author-email: mradon@chemia.uj.edu.pl
License: BSD-3-Clause
Download-URL: https://tungsten.ch.uj.edu.pl/downloadmanager/click.php?id=natorbs-1.0.1
Description: 
        Natorbs computes natural or natural-spin orbitals 
        and natural orbitals for chemical valence (NOCV)
        based on the canonical HF/DFT orbitals interfaced
        either through cclib or Molden format.
        
Keywords: quantum chemistry,natural orbitals,nocv
Platform: UNKNOWN
Classifier: Development Status :: 5 - Production/Stable
Classifier: Environment :: Console
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: BSD License
Classifier: Natural Language :: English
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
