BernyAux

A simple auxiliary library to interface with PySCF and pyberny

Dependencies

Add $(pwd)/.. to the environment variable $PYTHONPATH

See the function documentation and the test codes

Name		Name	Last commit message	Last commit date
Latest commit History 15 Commits
test		test
.gitignore		.gitignore
README.md		README.md
__init__.py		__init__.py
bench.py		bench.py
coords.py		coords.py
file.py		file.py
opt.py		opt.py
timer.py		timer.py