molecular_dipoles.F File Reference

#include "./base/base_uses.f90"

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Modules
module	molecular_dipoles
	Set of routines handling the localization for molecular properties.

Functions/Subroutines
subroutine, public	molecular_dipoles::calculate_molecular_dipole (qs_env, qs_loc_env, loc_print_key, molecule_set)
	maps wfc's to molecules and also prints molecular dipoles More...