qs_loc_molecules.F File Reference

#include "./base/base_uses.f90"

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

Functions/Subroutines
subroutine, public	qs_loc_molecules::wfc_to_molecule (qs_loc_env, center, molecule_set, ispin, nspins)
	maps wfc's to molecules and also prints molecular dipoles More...