ngraymon

Pibronic

Python package which provides an implementation of a PIMC method that calculates thermodynamic properties of quantum mechanical systems described by vibronic models

DNN-SE

This projects goal is to replicate the algorithm and experiments defined in 10.1103/PhysRevResearch.2.033429

spectra_scripts

Assorted scripts and code for generating ACF and spectra using MCTDH and/or VECC

termfactory

Exploring a formal representation for the residual terms and/or cleaning up code of the residual equation generator

ascii_mol

Assorted scripts for obtaining ASCII encodings of Smiles and InChI representations of molecular compounds

CHEM494_interm_report_template

Template latex for writing a CHEM 494 interm report

vmio

Assorted scripts and code for handling vibronic models and interfacing with MCTDH

494_dev

acesiii

Varous ACES III Developements

CHEM494_final_report_template

Template latex for writing a CHEM 494 final report

chummer5a

Character generator for Shadowrun 5th edition

example-python

Python coverage example

example-vulture

How to add vulture to CI tests

maude_syntax_highlight

Maude syntax highlighting for SublimeText 2/3

oh-my-zsh-ys-cluster-theme

Modified ys oh-my-zsh theme for usage with batch systems on clusters

package_control_channel

Default channel file for Package Control. Follow the directions at:

paper_latex_template

basic latex template for paper submission

pdaggerq

pycuda_lanczos

spaceship-prompt

:rocket::star: A Zsh prompt for Astronauts

t-amplitudes

Code base for VECC method

VE-TFCC

Code base for TF-VECC method

VibronicToolkit.jl

Tools for vibronic Hamiltonians.