dftbplus_wrapper
Experiments in running DFTB+ from Python
Copyright
Copyright (c) 2020, Matthew W. Thompson
Acknowledgements
Project based on the Computational Molecular Science Python Cookiecutter version 1.1.
Experiments in running DFTB+ from Python
Copyright (c) 2020, Matthew W. Thompson
Project based on the Computational Molecular Science Python Cookiecutter version 1.1.