qs_scf_post_se.F File Reference

#include "./base/base_uses.f90"

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Modules
module	qs_scf_post_se
	Does all kind of post scf calculations for semi-empirical.

Functions/Subroutines
subroutine, public	qs_scf_post_se::scf_post_calculation_se (qs_env)
	collects possible post - scf calculations and prints info / computes properties. specific for Semi-empirical calculations