GitHub repository: rjohns03/orca-scripts
Primary language: Python
Created: 2017-05-06T17:55:34Z
Description: Various scripts that I have collected from around the web for interacting with the ORCA electronic structure suit. Many of these scripts are from the Orca Input Library, but I intend to collect any script I find or write, license permitting, for working with this fantastic application for doing atomic orbital based DFT and other ab initio electronic structure