3.10.5. horton.scripts.wpart – Utility functions for the horton-wpart.py script

horton.scripts.wpart.wpart_slow_analysis(wpart, mol)

An additional and optional analysis for horton-wpart.py

This analysis is currently not included in horton/part because it would imply additional changes in the API.

Arguments:

wpart

An instance of a WPart class

mol

An instance of IOData. This instance must at least contain an obasis, exp_alpha and exp_beta (in case of unrestricted spin) object.