qs_gcp_utils Module Reference

Set disperson types for DFT calculations. More...

Functions/Subroutines
subroutine, public	qs_gcp_env_set (gcp_env, xc_section)
	...
subroutine, public	qs_gcp_init (qs_env, gcp_env)
	...

Detailed Description

Set disperson types for DFT calculations.

Author

JGH (04.2014)

Function/Subroutine Documentation

qs_gcp_env_set()

subroutine, public qs_gcp_utils::qs_gcp_env_set	(	type(qs_gcp_type), pointer	gcp_env,
		type(section_vals_type), pointer	xc_section
	)

...

Parameters

gcp_env	...
xc_section	...

Definition at line 112 of file qs_gcp_utils.F.

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qs_gcp_init()

subroutine, public qs_gcp_utils::qs_gcp_init	(	type(qs_environment_type), pointer	qs_env,
		type(qs_gcp_type), pointer	gcp_env
	)

...

Parameters

qs_env	...
gcp_env	...

Definition at line 160 of file qs_gcp_utils.F.

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