qs_scf_post_scf Module Reference

Utility routines for qs_scf. More...

Functions/Subroutines
subroutine, public	qs_scf_compute_properties (qs_env, wf_type, do_mp2)
	computes properties for a given hamilonian using the current wfn More...

Detailed Description

Utility routines for qs_scf.

Function/Subroutine Documentation

qs_scf_compute_properties()

subroutine, public qs_scf_post_scf::qs_scf_compute_properties	(	type(qs_environment_type), pointer	qs_env,
		character(6), optional	wf_type,
		logical, optional	do_mp2
	)

computes properties for a given hamilonian using the current wfn

Parameters

qs_env	...
wf_type	...
do_mp2	...

Definition at line 44 of file qs_scf_post_scf.F.

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