patonlab/pyQRC: 1.0.4

Uses cclib to process orca, qchem and gaussian outputs

Bibliographic Details
Main Authors: Robert Paton, Shree Sowndarya Santhanalakkshmi Vejaykummar, Guilian Luchini, aligfellow
Format: Other/Unknown Material
Language:unknown
Published: Zenodo 2024
Subjects:
Online Access:https://doi.org/10.5281/zenodo.12510821
Description
Summary:Uses cclib to process orca, qchem and gaussian outputs