Simplified Tamm Dancoff approach (sTDA). More...

Data Types
type	stda_env_type

Functions/Subroutines
subroutine, public	stda_init_param (qs_env, stda_kernel, stda_control)
	Get the parameters needed for an sTDA calculation.
subroutine, public	allocate_stda_env (qs_env, stda_kernel, n_ao, nactive)
	Allocate the sTDA environment.
subroutine, public	deallocate_stda_env (stda_kernel)
	Deallocate the sTDA environment.

Detailed Description

Simplified Tamm Dancoff approach (sTDA).

Function/Subroutine Documentation

subroutine, public qs_tddfpt2_stda_types::stda_init_param	(	type(qs_environment_type), pointer	qs_env,
		type(stda_env_type)	stda_kernel,
		type(stda_control_type)	stda_control )

Get the parameters needed for an sTDA calculation.

Parameters

Definition at line 118 of file qs_tddfpt2_stda_types.F.

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subroutine, public qs_tddfpt2_stda_types::allocate_stda_env	(	type(qs_environment_type), pointer	qs_env,
		type(stda_env_type)	stda_kernel,
		integer, intent(in)	n_ao,
		integer, dimension(:), intent(in)	nactive )

Allocate the sTDA environment.

Parameters

Definition at line 219 of file qs_tddfpt2_stda_types.F.

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subroutine, public qs_tddfpt2_stda_types::deallocate_stda_env ( type(stda_env_type) stda_kernel )

Deallocate the sTDA environment.

Parameters

stda_kernel ...

Definition at line 254 of file qs_tddfpt2_stda_types.F.

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