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mechdriver

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molecular property routines using electronic structure calls

Apache-2.0 license

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Name		Name	Last commit message	Last commit date
.circleci		.circleci
.obj		.obj
bin		bin
docs		docs
drivers		drivers
install		install
lib		lib
routines		routines
tests		tests
.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

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moldriver

Automated Molecular routines using electronic structure calls

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molecular property routines using electronic structure calls

Apache-2.0 license

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