0.0.1 - 2023.01.08

Changed

• toff.utils.confgen now check if it is needed to generate a conformation and add hydrogens.

Removed

• Parameter gen_conformer from toff.utils.get_rdkit_mol and toff.utils.parameterize.__call__.

Added

• toff.utils.safe_naming. Add a prefix to the atom types.
• safe_naming_prefix keyword on toff.utils.Parameterize. It uses the previous function if some string is provided.
• max_iter to toff.utils.charge_sanitizer. Maximum number of iteration in case of charge correction.

Fixed

• Improve documentation