dpolfit.examples
This folder includes some examples to use this package.
_fitting.py: Generate QM data and fit polarizabilities.
_respdpol.py: Fit respdpol partial charges using QM generated in fitting.
This folder includes some examples to use this package.
_fitting.py: Generate QM data and fit polarizabilities.
_respdpol.py: Fit respdpol partial charges using QM generated in fitting.