Improve documentation for version 3.0
martimunicoy opened this issue · comments
Description
At least, the usage of CLI of main.py
should be documented. Besides, some docstrings can be updated to the API documentation.
The peleffy (PELE Force Field Yielder) is a Python package that builds PELE-compatible force field templates.
martimunicoy opened this issue · comments
At least, the usage of CLI of main.py
should be documented. Besides, some docstrings can be updated to the API documentation.