qs_tddfpt2_lri_utils Module Reference

Functions/Subroutines
subroutine, public	tddfpt2_lri_init (qs_env, kernel_env, lri_section, tddfpt_print_section)
	Initialize LRI environment, basis, neighborlists and matrices. More...
subroutine, public	tddfpt2_lri_amat (qs_env, sub_env, lri_env, lri_v_int, A_ia_munu_sub)
	Calculate contribution to response vector for LRI. More...

Function/Subroutine Documentation

tddfpt2_lri_init()

subroutine, public qs_tddfpt2_lri_utils::tddfpt2_lri_init	(	type(qs_environment_type), intent(in), pointer	qs_env,
		type(kernel_env_type)	kernel_env,
		type(section_vals_type), intent(in), pointer	lri_section,
		type(section_vals_type), intent(in), pointer	tddfpt_print_section
	)

Initialize LRI environment, basis, neighborlists and matrices.

Parameters

qs_env	...
kernel_env	...
lri_section	...
tddfpt_print_section	...

Definition at line 78 of file qs_tddfpt2_lri_utils.F.

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tddfpt2_lri_amat()

subroutine, public qs_tddfpt2_lri_utils::tddfpt2_lri_amat	(	type(qs_environment_type), intent(in), pointer	qs_env,
		type(tddfpt_subgroup_env_type), intent(in)	sub_env,
		type(lri_environment_type), intent(in), pointer	lri_env,
		type(lri_kind_type), dimension(:), intent(in), pointer	lri_v_int,
		type(dbcsr_p_type), dimension(:), pointer	A_ia_munu_sub
	)

Calculate contribution to response vector for LRI.

Parameters

qs_env	...
sub_env	...
lri_env	...
lri_v_int	...
A_ia_munu_sub	...

Definition at line 250 of file qs_tddfpt2_lri_utils.F.

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