Pinned Repositories
chem-8950
dotfiles
Collection of all my dotfiles
file_iter
A Swiss Army knife iterator for files (or any iterator of strings)
pipenv-cookiecutter
Cookiecutter for setting up python projects with pipenv that just work
poetry-cookiecutter
Cookiecutter for setting up python projects with Poetry
qgrep
Repository for various quantum chemistry program helper scripts
quantum
reaction_web
Reaction path plotter
spectra
A package for plotting and manipulating 1D spectra
zmatrix
A class for conversion between zmatrices and cartesian coordinates
jevandezande's Repositories
jevandezande/zmatrix
A class for conversion between zmatrices and cartesian coordinates
jevandezande/spectra
A package for plotting and manipulating 1D spectra
jevandezande/reaction_web
Reaction path plotter
jevandezande/chem-8950
jevandezande/poetry-cookiecutter
Cookiecutter for setting up python projects with Poetry
jevandezande/qgrep
Repository for various quantum chemistry program helper scripts
jevandezande/dotfiles
Collection of all my dotfiles
jevandezande/file_iter
A Swiss Army knife iterator for files (or any iterator of strings)
jevandezande/pipenv-cookiecutter
Cookiecutter for setting up python projects with pipenv that just work
jevandezande/quantum
jevandezande/statmech
Introduction to Statistical Mechanics - Peter Eastman
jevandezande/snippets
Random code snippets that I find useful
jevandezande/basis
basis
jevandezande/cheMVP
Vector graphic molecule viewer
jevandezande/cluster
Generates clusters à la DOI: 10.1039/c3cp50709b
jevandezande/crest
Conformer-Rotamer Ensemble Sampling Tool based on the xtb Semiempirical Extended Tight-Binding Program Package
jevandezande/crest-docs
https://crest-lab.github.io/crest-docs/
jevandezande/dissertation-template
LaTeX dissertation template based on UGA guidelines
jevandezande/elongation
Methods for reading, plotting, and manipulating elongation data. Currently supports the MT-2500.
jevandezande/jevandezande.github.io
jevandezande/job_queue
SGE submitter
jevandezande/pipenv_project
jevandezande/poetry_project
jevandezande/pourbaix
Pourbaix diagrams for a variety of elements
jevandezande/pymsym
molecular point group symmetry lib
jevandezande/reaction-progress
Reaction Progress program, DOI: 10.1021/ed400069d
jevandezande/task-spooler
A scheduler for GPU/CPU tasks
jevandezande/torsiondrive
Dihedral scanner with wavefront propagation