core-spec-pyscf #

This is a PySCF extension to make some things easier for core spectroscopy. You can install it with pip install core-spec-pyscf!

Psi4 #

My Psi4 fork is here. This is one of the things I’m paid to do in grad school. So far I’ve added a relativistic Hamiltonian, PR is making its way through the pipeline.

KiosPlugins #

This is a repo for my VSTs. The only one worth your time is PolySlew. Most are based off the framework of the AirWindows plugins. A release is available for both VSTs.

water-nanoparticles-MD #

This contains the Amber code used in my undergraduate thesis. Different branches are used for investigating different aspects of the system. Still in progress.