Public Member Functions
subroutine	eri_mme_set_params_from_basis (param, cell, qs_kind_set, basis_type_1, basis_type_2, para_env, potential, pot_par)
	Set parameters for MME method by deriving basis info from basis set. Cutoff can be auto-calibrated to minimize total error.

subroutine	eri_mme_set_params_custom (param, hmat, is_ortho, zet_min, zet_max, l_max_zet, l_max, para_env, potential, pot_par)
	Wrapper for eri_mme_set_params.

Detailed Description

Definition at line 74 of file cp_eri_mme_interface.F.

Member Function/Subroutine Documentation

subroutine cp_eri_mme_interface::cp_eri_mme_set_params::eri_mme_set_params_from_basis	(	type(cp_eri_mme_param), intent(inout)	param,
		type(cell_type), pointer	cell,
		type(qs_kind_type), dimension(:), intent(in), pointer	qs_kind_set,
		character(len=*), intent(in)	basis_type_1,
		character(len=*), intent(in), optional	basis_type_2,
		type(mp_para_env_type), intent(in)	para_env,
		integer, intent(in), optional	potential,
		real(kind=dp), intent(in), optional	pot_par
	)

Set parameters for MME method by deriving basis info from basis set. Cutoff can be auto-calibrated to minimize total error.

Parameters

Definition at line 348 of file cp_eri_mme_interface.F.

subroutine cp_eri_mme_interface::cp_eri_mme_set_params::eri_mme_set_params_custom	(	type(cp_eri_mme_param), intent(inout)	param,
		real(kind=dp), dimension(3, 3), intent(in)	hmat,
		logical, intent(in)	is_ortho,
		real(kind=dp), intent(in)	zet_min,
		real(kind=dp), intent(in)	zet_max,
		integer, intent(in)	l_max_zet,
		integer, intent(in)	l_max,
		type(mp_para_env_type), intent(in)	para_env,
		integer, intent(in), optional	potential,
		real(kind=dp), intent(in), optional	pot_par
	)

Wrapper for eri_mme_set_params.

Parameters

Definition at line 391 of file cp_eri_mme_interface.F.

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The documentation for this interface was generated from the following file: