Data Fields
integer	ig_max

integer	ncall

integer, dimension(2)	ncall_p

integer	nbuffer

integer	n_simple_mix

integer	nskip_mixing

integer	p_metric_method

integer, dimension(:), pointer	ig_global_index

logical	gmix_p

logical, dimension(:), pointer	paw

character(len=15)	iter_method

real(kind=dp)	alpha

real(kind=dp)	bconst

real(kind=dp)	beta

real(kind=dp)	broy_w0

real(kind=dp)	max_g2

real(kind=dp)	max_gvec_exp

real(kind=dp)	pulay_alpha

real(kind=dp)	pulay_beta

real(kind=dp)	r_step

real(kind=dp)	reg_par

real(kind=dp)	sigma_max

real(kind=dp)	wc

real(kind=dp)	wmax

real(kind=dp), dimension(:), pointer	p_metric

real(kind=dp), dimension(:), pointer	kerker_factor

real(kind=dp), dimension(:), pointer	special_metric

real(kind=dp), dimension(:, :), pointer	weight

real(kind=dp), dimension(:, :), pointer	norm_res_buffer

real(kind=dp), dimension(:, :, :), pointer	fmat

real(kind=dp), dimension(:, :, :), pointer	gmat

real(kind=dp), dimension(:, :, :), pointer	pulay_matrix

real(kind=dp), dimension(:, :, :), pointer	smat

integer	nat_local

integer	max_shell

real(kind=dp), dimension(:, :, :), pointer	acharge

real(kind=dp), dimension(:, :, :), pointer	dacharge

real(kind=dp), dimension(:, :, :), pointer	dfbroy

real(kind=dp), dimension(:, :, :), pointer	ubroy

real(kind=dp), dimension(:, :), pointer	abroy

real(kind=dp), dimension(:), pointer	wbroy

integer, dimension(:), pointer	atlist

type(cp_1d_z_p_type), dimension(:), pointer	last_res

type(cp_1d_z_p_type), dimension(:), pointer	rhoin

type(cp_1d_z_p_type), dimension(:), pointer	rhoin_old

type(cp_1d_z_p_type), dimension(:, :), pointer	delta_res

type(cp_1d_z_p_type), dimension(:, :), pointer	u_vec

type(cp_1d_z_p_type), dimension(:, :), pointer	z_vec

type(cp_1d_z_p_type), dimension(:, :), pointer	drho_buffer

type(cp_1d_z_p_type), dimension(:, :), pointer	rhoin_buffer

type(cp_1d_z_p_type), dimension(:, :), pointer	res_buffer

type(rho_atom_coeff), dimension(:, :), pointer	cpc_h_lastres

type(rho_atom_coeff), dimension(:, :), pointer	cpc_s_lastres

type(rho_atom_coeff), dimension(:, :), pointer	cpc_h_in

type(rho_atom_coeff), dimension(:, :), pointer	cpc_s_in

type(rho_atom_coeff), dimension(:, :), pointer	cpc_h_old

type(rho_atom_coeff), dimension(:, :), pointer	cpc_s_old

type(rho_atom_coeff), dimension(:, :, :), pointer	cpc_h_in_buffer

type(rho_atom_coeff), dimension(:, :, :), pointer	cpc_s_in_buffer

type(rho_atom_coeff), dimension(:, :, :), pointer	cpc_h_res_buffer

type(rho_atom_coeff), dimension(:, :, :), pointer	cpc_s_res_buffer

type(rho_atom_coeff), dimension(:, :, :), pointer	dcpc_h_in

type(rho_atom_coeff), dimension(:, :, :), pointer	dcpc_s_in

Detailed Description

Definition at line 55 of file qs_density_mixing_types.F.

Field Documentation

◆ ig_max

integer qs_density_mixing_types::mixing_storage_type::ig_max

Definition at line 56 of file qs_density_mixing_types.F.

◆ ncall

integer qs_density_mixing_types::mixing_storage_type::ncall

Definition at line 56 of file qs_density_mixing_types.F.

◆ ncall_p

integer, dimension(2) qs_density_mixing_types::mixing_storage_type::ncall_p

Definition at line 56 of file qs_density_mixing_types.F.

◆ nbuffer

integer qs_density_mixing_types::mixing_storage_type::nbuffer

Definition at line 56 of file qs_density_mixing_types.F.

◆ n_simple_mix

integer qs_density_mixing_types::mixing_storage_type::n_simple_mix

Definition at line 56 of file qs_density_mixing_types.F.

◆ nskip_mixing

integer qs_density_mixing_types::mixing_storage_type::nskip_mixing

Definition at line 56 of file qs_density_mixing_types.F.

◆ p_metric_method

integer qs_density_mixing_types::mixing_storage_type::p_metric_method

Definition at line 56 of file qs_density_mixing_types.F.

◆ ig_global_index

integer, dimension(:), pointer qs_density_mixing_types::mixing_storage_type::ig_global_index

Definition at line 58 of file qs_density_mixing_types.F.

◆ gmix_p

logical qs_density_mixing_types::mixing_storage_type::gmix_p

Definition at line 59 of file qs_density_mixing_types.F.

◆ paw

logical, dimension(:), pointer qs_density_mixing_types::mixing_storage_type::paw

Definition at line 60 of file qs_density_mixing_types.F.

◆ iter_method

character(len=15) qs_density_mixing_types::mixing_storage_type::iter_method

Definition at line 61 of file qs_density_mixing_types.F.

◆ alpha

real(kind=dp) qs_density_mixing_types::mixing_storage_type::alpha

Definition at line 62 of file qs_density_mixing_types.F.

◆ bconst

real(kind=dp) qs_density_mixing_types::mixing_storage_type::bconst

Definition at line 62 of file qs_density_mixing_types.F.

◆ beta

real(kind=dp) qs_density_mixing_types::mixing_storage_type::beta

Definition at line 62 of file qs_density_mixing_types.F.

◆ broy_w0

real(kind=dp) qs_density_mixing_types::mixing_storage_type::broy_w0

Definition at line 62 of file qs_density_mixing_types.F.

◆ max_g2

real(kind=dp) qs_density_mixing_types::mixing_storage_type::max_g2

Definition at line 62 of file qs_density_mixing_types.F.

◆ max_gvec_exp

real(kind=dp) qs_density_mixing_types::mixing_storage_type::max_gvec_exp

Definition at line 62 of file qs_density_mixing_types.F.

◆ pulay_alpha

real(kind=dp) qs_density_mixing_types::mixing_storage_type::pulay_alpha

Definition at line 62 of file qs_density_mixing_types.F.

◆ pulay_beta

real(kind=dp) qs_density_mixing_types::mixing_storage_type::pulay_beta

Definition at line 62 of file qs_density_mixing_types.F.

◆ r_step

real(kind=dp) qs_density_mixing_types::mixing_storage_type::r_step

Definition at line 62 of file qs_density_mixing_types.F.

◆ reg_par

real(kind=dp) qs_density_mixing_types::mixing_storage_type::reg_par

Definition at line 62 of file qs_density_mixing_types.F.

◆ sigma_max

real(kind=dp) qs_density_mixing_types::mixing_storage_type::sigma_max

Definition at line 62 of file qs_density_mixing_types.F.

◆ wc

real(kind=dp) qs_density_mixing_types::mixing_storage_type::wc

Definition at line 62 of file qs_density_mixing_types.F.

◆ wmax

real(kind=dp) qs_density_mixing_types::mixing_storage_type::wmax

Definition at line 62 of file qs_density_mixing_types.F.

◆ p_metric

real(kind=dp), dimension(:), pointer qs_density_mixing_types::mixing_storage_type::p_metric

Definition at line 66 of file qs_density_mixing_types.F.

◆ kerker_factor

real(kind=dp), dimension(:), pointer qs_density_mixing_types::mixing_storage_type::kerker_factor

Definition at line 67 of file qs_density_mixing_types.F.

◆ special_metric

real(kind=dp), dimension(:), pointer qs_density_mixing_types::mixing_storage_type::special_metric

Definition at line 68 of file qs_density_mixing_types.F.

◆ weight

real(kind=dp), dimension(:, :), pointer qs_density_mixing_types::mixing_storage_type::weight

Definition at line 69 of file qs_density_mixing_types.F.

◆ norm_res_buffer

real(kind=dp), dimension(:, :), pointer qs_density_mixing_types::mixing_storage_type::norm_res_buffer

Definition at line 70 of file qs_density_mixing_types.F.

◆ fmat

real(kind=dp), dimension(:, :, :), pointer qs_density_mixing_types::mixing_storage_type::fmat

Definition at line 71 of file qs_density_mixing_types.F.

◆ gmat

real(kind=dp), dimension(:, :, :), pointer qs_density_mixing_types::mixing_storage_type::gmat

Definition at line 71 of file qs_density_mixing_types.F.

◆ pulay_matrix

real(kind=dp), dimension(:, :, :), pointer qs_density_mixing_types::mixing_storage_type::pulay_matrix

Definition at line 71 of file qs_density_mixing_types.F.

◆ smat

real(kind=dp), dimension(:, :, :), pointer qs_density_mixing_types::mixing_storage_type::smat

Definition at line 71 of file qs_density_mixing_types.F.

◆ nat_local

integer qs_density_mixing_types::mixing_storage_type::nat_local

Definition at line 73 of file qs_density_mixing_types.F.

◆ max_shell

integer qs_density_mixing_types::mixing_storage_type::max_shell

Definition at line 73 of file qs_density_mixing_types.F.

◆ acharge

real(kind=dp), dimension(:, :, :), pointer qs_density_mixing_types::mixing_storage_type::acharge

Definition at line 74 of file qs_density_mixing_types.F.

◆ dacharge

real(kind=dp), dimension(:, :, :), pointer qs_density_mixing_types::mixing_storage_type::dacharge

Definition at line 75 of file qs_density_mixing_types.F.

◆ dfbroy

real(kind=dp), dimension(:, :, :), pointer qs_density_mixing_types::mixing_storage_type::dfbroy

Definition at line 76 of file qs_density_mixing_types.F.

◆ ubroy

real(kind=dp), dimension(:, :, :), pointer qs_density_mixing_types::mixing_storage_type::ubroy

Definition at line 77 of file qs_density_mixing_types.F.

◆ abroy

real(kind=dp), dimension(:, :), pointer qs_density_mixing_types::mixing_storage_type::abroy

Definition at line 78 of file qs_density_mixing_types.F.

◆ wbroy

real(kind=dp), dimension(:), pointer qs_density_mixing_types::mixing_storage_type::wbroy

Definition at line 79 of file qs_density_mixing_types.F.

◆ atlist

integer, dimension(:), pointer qs_density_mixing_types::mixing_storage_type::atlist

Definition at line 80 of file qs_density_mixing_types.F.

◆ last_res

type(cp_1d_z_p_type), dimension(:), pointer qs_density_mixing_types::mixing_storage_type::last_res

Definition at line 82 of file qs_density_mixing_types.F.

◆ rhoin

type(cp_1d_z_p_type), dimension(:), pointer qs_density_mixing_types::mixing_storage_type::rhoin

Definition at line 82 of file qs_density_mixing_types.F.

◆ rhoin_old

type(cp_1d_z_p_type), dimension(:), pointer qs_density_mixing_types::mixing_storage_type::rhoin_old

Definition at line 82 of file qs_density_mixing_types.F.

◆ delta_res

type(cp_1d_z_p_type), dimension(:, :), pointer qs_density_mixing_types::mixing_storage_type::delta_res

Definition at line 83 of file qs_density_mixing_types.F.

◆ u_vec

type(cp_1d_z_p_type), dimension(:, :), pointer qs_density_mixing_types::mixing_storage_type::u_vec

Definition at line 83 of file qs_density_mixing_types.F.

◆ z_vec

type(cp_1d_z_p_type), dimension(:, :), pointer qs_density_mixing_types::mixing_storage_type::z_vec

Definition at line 83 of file qs_density_mixing_types.F.

◆ drho_buffer

type(cp_1d_z_p_type), dimension(:, :), pointer qs_density_mixing_types::mixing_storage_type::drho_buffer

Definition at line 84 of file qs_density_mixing_types.F.

◆ rhoin_buffer

type(cp_1d_z_p_type), dimension(:, :), pointer qs_density_mixing_types::mixing_storage_type::rhoin_buffer

Definition at line 84 of file qs_density_mixing_types.F.

◆ res_buffer

type(cp_1d_z_p_type), dimension(:, :), pointer qs_density_mixing_types::mixing_storage_type::res_buffer

Definition at line 84 of file qs_density_mixing_types.F.

◆ cpc_h_lastres

type(rho_atom_coeff), dimension(:, :), pointer qs_density_mixing_types::mixing_storage_type::cpc_h_lastres

Definition at line 86 of file qs_density_mixing_types.F.

◆ cpc_s_lastres

type(rho_atom_coeff), dimension(:, :), pointer qs_density_mixing_types::mixing_storage_type::cpc_s_lastres

Definition at line 86 of file qs_density_mixing_types.F.

◆ cpc_h_in

type(rho_atom_coeff), dimension(:, :), pointer qs_density_mixing_types::mixing_storage_type::cpc_h_in

Definition at line 87 of file qs_density_mixing_types.F.

◆ cpc_s_in

type(rho_atom_coeff), dimension(:, :), pointer qs_density_mixing_types::mixing_storage_type::cpc_s_in

Definition at line 87 of file qs_density_mixing_types.F.

◆ cpc_h_old

type(rho_atom_coeff), dimension(:, :), pointer qs_density_mixing_types::mixing_storage_type::cpc_h_old

Definition at line 88 of file qs_density_mixing_types.F.

◆ cpc_s_old

type(rho_atom_coeff), dimension(:, :), pointer qs_density_mixing_types::mixing_storage_type::cpc_s_old

Definition at line 88 of file qs_density_mixing_types.F.

◆ cpc_h_in_buffer

type(rho_atom_coeff), dimension(:, :, :), pointer qs_density_mixing_types::mixing_storage_type::cpc_h_in_buffer

Definition at line 89 of file qs_density_mixing_types.F.

◆ cpc_s_in_buffer

type(rho_atom_coeff), dimension(:, :, :), pointer qs_density_mixing_types::mixing_storage_type::cpc_s_in_buffer

Definition at line 89 of file qs_density_mixing_types.F.

◆ cpc_h_res_buffer

type(rho_atom_coeff), dimension(:, :, :), pointer qs_density_mixing_types::mixing_storage_type::cpc_h_res_buffer

Definition at line 90 of file qs_density_mixing_types.F.

◆ cpc_s_res_buffer

type(rho_atom_coeff), dimension(:, :, :), pointer qs_density_mixing_types::mixing_storage_type::cpc_s_res_buffer

Definition at line 90 of file qs_density_mixing_types.F.

◆ dcpc_h_in

type(rho_atom_coeff), dimension(:, :, :), pointer qs_density_mixing_types::mixing_storage_type::dcpc_h_in

Definition at line 91 of file qs_density_mixing_types.F.

◆ dcpc_s_in

type(rho_atom_coeff), dimension(:, :, :), pointer qs_density_mixing_types::mixing_storage_type::dcpc_s_in

Definition at line 91 of file qs_density_mixing_types.F.

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

qs_density_mixing_types.F

Data Fields

Detailed Description

Field Documentation

◆ ig_max

◆ ncall

◆ ncall_p

◆ nbuffer

◆ n_simple_mix

◆ nskip_mixing

◆ p_metric_method

◆ ig_global_index

◆ gmix_p

◆ paw

◆ iter_method

◆ alpha

◆ bconst

◆ beta

◆ broy_w0

◆ max_g2

◆ max_gvec_exp

◆ pulay_alpha

◆ pulay_beta

◆ r_step

◆ reg_par

◆ sigma_max

◆ wc

◆ wmax

◆ p_metric

◆ kerker_factor

◆ special_metric

◆ weight

◆ norm_res_buffer

◆ fmat

◆ gmat

◆ pulay_matrix

◆ smat

◆ nat_local

◆ max_shell

◆ acharge

◆ dacharge

◆ dfbroy

◆ ubroy

◆ abroy

◆ wbroy

◆ atlist

◆ last_res

◆ rhoin

◆ rhoin_old

◆ delta_res

◆ u_vec

◆ z_vec

◆ drho_buffer

◆ rhoin_buffer

◆ res_buffer

◆ cpc_h_lastres

◆ cpc_s_lastres

◆ cpc_h_in

◆ cpc_s_in

◆ cpc_h_old

◆ cpc_s_old

◆ cpc_h_in_buffer

◆ cpc_s_in_buffer

◆ cpc_h_res_buffer

◆ cpc_s_res_buffer

◆ dcpc_h_in

◆ dcpc_s_in