Repositories list

• libresponse

  Public
  A library for solving (linear) response equations in quantum chemistry

  C

  •

  BSD 3-Clause "New" or "Revised" License

  •3•1•0•0•Updated May 15, 2020May 15, 2020

• MoCChA

  Public
  Jupyter Notebook

  •

  MIT License

  •0•0•0•0•Updated Jul 25, 2018Jul 25, 2018

• ape

  Public
  accelerated piezo evaluator

  Python

  •

  GNU General Public License v2.0

  •0•0•0•0•Updated May 3, 2018May 3, 2018

• pz

  Public
  Python

  •0•0•0•0•Updated Sep 21, 2017Sep 21, 2017

• scripts

  Public
  Tools for running quantum chemical calculations.

  Python

  •0•0•0•0•Updated Aug 15, 2016Aug 15, 2016

• qext

  Public
  qext extracts data from Q-Chem outputs :)

  GNU General Public License v2.0

  •0•0•0•0•Updated Oct 24, 2015Oct 24, 2015

• samtools

  Public
  Scripts to help with running, monitoring, and administrating jobs on the SAM computer cluster.

  Shell

  •

  GNU General Public License v2.0

  •0•0•0•0•Updated Jun 11, 2015Jun 11, 2015