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1. endyn endyn Public

   A python package for simulating electron-nuclear dynamics.

   Python

2. psi4 psi4 Public

   Forked from psi4/psi4

   Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

   C++

3. nwchem nwchem Public

   Forked from nwchemgit/nwchem

   NWChem: Open Source High-Performance Computational Chemistry

   Fortran

4. MCMD MCMD Public

   Examples of Monte Carlo (MC) and Molecular Dyanamics (MD) simulations written in Python, Fortran and C++.

   Jupyter Notebook

5. si_hhg_gaussian_basissets si_hhg_gaussian_basissets Public

   Supplementary data for our study on using the TDCI approach with Gaussian basis sets for simulating higher-harmonic generation (HHG)

   Jupyter Notebook