LouieSlocombe

HEOM.jl

Hierarchical Equations of Motion in Julia

CenteredDifferences

Minimal centered differences package

Effect-of-Helicase-Separation-on-GC-Tautomerism

Effect of Helicase Cleavage on Guanine - Cytosine Tautomerism

ase-cp2k-noshell

Code for the ASE CP2K calculator but without using cp2k-shell

ASE_QChem_mod

Modified QChem calculator file

Effect-of-Strand-Separation-on-AT-Tautomerism

H-Tunnelling-Graphene

Hydrogen tunnelling on Graphene project

Hello-world

HPC-Examples

Example input files for Eureka HPC

LouieSlocombe.github.io

LS-ASE-Utils

Some useful functions for ASE

LS-Utils

Useful functions

sella_crash

crash example

Watson-Crick-tautomerism-in-AT-and-GC-base-pairs