qs_loc_main.F File Reference

#include "./base/base_uses.f90"

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Modules
module	qs_loc_main
	Driver for the localization that should be general for all the methods available and all the definition of the spread functional Write centers, spread and cubes only if required and for the selected states The localized functions are copied in the standard mos array for the next use.

Functions/Subroutines
subroutine, public	qs_loc_main::qs_loc_driver (qs_env, qs_loc_env, print_loc_section, myspin, ext_mo_coeff)
	set up the calculation of localized orbitals