polyhartree

Tools to automate routine computational chemistry

Name		Name	Last commit message	Last commit date
Latest commit History 119 Commits
adapters		adapters
cccbdb		cccbdb
chemnw		chemnw
config		config
doc		doc
support		support
tests		tests
.gitignore		.gitignore
LICENSE		LICENSE
README.md		README.md
__init__.py		__init__.py
cpinterface.py		cpinterface.py
geoprep.py		geoprep.py
pdynamo-runner.py		pdynamo-runner.py
sharedutilities.py		sharedutilities.py
subrunner.py		subrunner.py
testrunner.py		testrunner.py

mattbernst/polyhartree