curly-waddle

Computational chemistry input generators

Name		Name	Last commit message	Last commit date
Latest commit History 15 Commits
README.md		README.md
auto.py		auto.py
check_distance.py		check_distance.py
config.ini		config.ini
curlywaddle.py		curlywaddle.py
generate_inputs.py		generate_inputs.py
optimize_parameters.py		optimize_parameters.py
reader.py		reader.py
relax_structure.py		relax_structure.py

Provide feedback