moldriver

Molecular property routines using electronic structure calls

Name		Name	Last commit message	Last commit date
Latest commit History 448 Commits
.circleci		.circleci
autofile		autofile
datalibs		datalibs
esdriver		esdriver
estoktpdriver		estoktpdriver
install		install
ktpdriver		ktpdriver
moldr		moldr
scripts		scripts
submission		submission
thermodriver		thermodriver
.gitignore		.gitignore
.pylintrc		.pylintrc
LICENSE		LICENSE
README.md		README.md
build.sh		build.sh
conda_build_config.yaml		conda_build_config.yaml
environment.yml		environment.yml
meta.yaml		meta.yaml
setup.py		setup.py

Provide feedback