bem_coulomb_fmm_types

Coulomb FMM コアで共有する型定義。

Uses

- bem_kinds
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Variables

Type	Visibility	Attributes		Name		Initial
real(kind=dp),	public,	parameter	::	inv_sqrt_pi	=	0.56418958354775628695d0

Derived Types

type, public :: fmm_options_type

Components

Type	Visibility		Name		Initial
real(kind=dp),	public	::	theta	=	0.5d0
integer(kind=i32),	public	::	leaf_max	=	16_i32
integer(kind=i32),	public	::	order	=	4_i32
real(kind=dp),	public	::	softening	=	0.0d0
logical,	public	::	use_periodic2	=	.false.
character(len=16),	public	::	periodic_far_correction	=	'auto'
integer(kind=i32),	public	::	periodic_axes(2)	=	0_i32
real(kind=dp),	public	::	periodic_len(2)	=	0.0d0
integer(kind=i32),	public	::	periodic_image_layers	=	1_i32
real(kind=dp),	public	::	periodic_ewald_alpha	=	0.0d0
integer(kind=i32),	public	::	periodic_ewald_layers	=	4_i32
real(kind=dp),	public	::	target_box_min(3)	=	0.0d0
real(kind=dp),	public	::	target_box_max(3)	=	0.0d0

type, public :: periodic2_ewald_data_type

Components

Type	Visibility	Attributes		Name		Initial
logical,	public		::	ready	=	.false.
integer(kind=i32),	public		::	axis1	=	0_i32
integer(kind=i32),	public		::	axis2	=	0_i32
integer(kind=i32),	public		::	axis_free	=	0_i32
integer(kind=i32),	public		::	nimg	=	0_i32
integer(kind=i32),	public		::	img_outer	=	0_i32
integer(kind=i32),	public		::	kmax	=	0_i32
real(kind=dp),	public		::	alpha	=	0.0d0
real(kind=dp),	public		::	soft2	=	0.0d0
real(kind=dp),	public		::	cell_area	=	0.0d0
real(kind=dp),	public		::	k0_pref	=	0.0d0
integer(kind=i32),	public		::	screen_count	=	0_i32
integer(kind=i32),	public		::	inner_count	=	0_i32
integer(kind=i32),	public		::	k_count	=	0_i32
real(kind=dp),	public,	allocatable	::	screen_shift1(:)
real(kind=dp),	public,	allocatable	::	screen_shift2(:)
real(kind=dp),	public,	allocatable	::	inner_shift1(:)
real(kind=dp),	public,	allocatable	::	inner_shift2(:)
real(kind=dp),	public,	allocatable	::	k1(:)
real(kind=dp),	public,	allocatable	::	k2(:)
real(kind=dp),	public,	allocatable	::	kmag(:)
real(kind=dp),	public,	allocatable	::	karg0(:)
real(kind=dp),	public,	allocatable	::	kpref1(:)
real(kind=dp),	public,	allocatable	::	kpref2(:)
real(kind=dp),	public,	allocatable	::	kprefz(:)

type, public :: fmm_plan_type

Components

Type	Visibility	Attributes		Name		Initial
type(fmm_options_type),	public		::	options	=	fmm_options_type()
logical,	public		::	built	=	.false.
integer(kind=i32),	public		::	nsrc	=	0_i32
integer(kind=i32),	public		::	ncoef	=	0_i32
integer(kind=i32),	public		::	nderiv	=	0_i32
integer(kind=i32),	public,	allocatable	::	alpha(:,:)
integer(kind=i32),	public,	allocatable	::	alpha_degree(:)
real(kind=dp),	public,	allocatable	::	alpha_factorial(:)
real(kind=dp),	public,	allocatable	::	alpha_sign(:)
integer(kind=i32),	public,	allocatable	::	alpha_map(:,:,:)
integer(kind=i32),	public,	allocatable	::	alpha_plus_axis(:,:)
integer(kind=i32),	public,	allocatable	::	deriv_alpha(:,:)
integer(kind=i32),	public,	allocatable	::	deriv_degree(:)
real(kind=dp),	public,	allocatable	::	deriv_factorial(:)
integer(kind=i32),	public,	allocatable	::	deriv_map(:,:,:)
integer(kind=i32),	public,	allocatable	::	alpha_beta_deriv_idx(:,:)
integer(kind=i32),	public		::	eval_term_count	=	0_i32
integer(kind=i32),	public,	allocatable	::	eval_exp(:,:)
integer(kind=i32),	public,	allocatable	::	eval_deriv_idx(:,:)
real(kind=dp),	public,	allocatable	::	eval_inv_factorial(:)
real(kind=dp),	public,	allocatable	::	src_pos(:,:)
integer(kind=i32),	public		::	max_node	=	0_i32
integer(kind=i32),	public		::	nnode	=	0_i32
integer(kind=i32),	public		::	node_max_depth	=	0_i32
integer(kind=i32),	public,	allocatable	::	elem_order(:)
integer(kind=i32),	public,	allocatable	::	node_start(:)
integer(kind=i32),	public,	allocatable	::	node_count(:)
integer(kind=i32),	public,	allocatable	::	child_count(:)
integer(kind=i32),	public,	allocatable	::	child_idx(:,:)
integer(kind=i32),	public,	allocatable	::	child_octant(:,:)
integer(kind=i32),	public,	allocatable	::	node_depth(:)
integer(kind=i32),	public,	allocatable	::	node_level_start(:)
integer(kind=i32),	public,	allocatable	::	node_level_nodes(:)
real(kind=dp),	public,	allocatable	::	node_center(:,:)
real(kind=dp),	public,	allocatable	::	node_half_size(:,:)
real(kind=dp),	public,	allocatable	::	node_radius(:)
logical,	public		::	target_tree_ready	=	.false.
integer(kind=i32),	public		::	target_max_node	=	0_i32
integer(kind=i32),	public		::	target_nnode	=	0_i32
integer(kind=i32),	public		::	target_node_max_depth	=	0_i32
integer(kind=i32),	public,	allocatable	::	target_child_count(:)
integer(kind=i32),	public,	allocatable	::	target_child_idx(:,:)
integer(kind=i32),	public,	allocatable	::	target_child_octant(:,:)
integer(kind=i32),	public,	allocatable	::	target_node_depth(:)
integer(kind=i32),	public,	allocatable	::	target_level_start(:)
integer(kind=i32),	public,	allocatable	::	target_level_nodes(:)
real(kind=dp),	public,	allocatable	::	target_node_center(:,:)
real(kind=dp),	public,	allocatable	::	target_node_half_size(:,:)
real(kind=dp),	public,	allocatable	::	target_node_radius(:)
integer(kind=i32),	public		::	nsource_leaf	=	0_i32
integer(kind=i32),	public,	allocatable	::	source_leaf_nodes(:)
integer(kind=i32),	public		::	nleaf	=	0_i32
integer(kind=i32),	public,	allocatable	::	leaf_nodes(:)
integer(kind=i32),	public,	allocatable	::	leaf_slot_of_node(:)
integer(kind=i32),	public,	allocatable	::	near_start(:)
integer(kind=i32),	public,	allocatable	::	near_nodes(:)
integer(kind=i32),	public,	allocatable	::	near_source_start(:)
integer(kind=i32),	public,	allocatable	::	near_source_idx(:)
real(kind=dp),	public,	allocatable	::	near_source_shift1(:)
real(kind=dp),	public,	allocatable	::	near_source_shift2(:)
integer(kind=i32),	public,	allocatable	::	far_start(:)
integer(kind=i32),	public,	allocatable	::	far_nodes(:)
integer(kind=i32),	public		::	m2l_pair_count	=	0_i32
integer(kind=i32),	public		::	m2l_build_count	=	0_i32
integer(kind=i32),	public		::	m2l_visit_count	=	0_i32
integer(kind=i32),	public,	allocatable	::	m2l_target_nodes(:)
integer(kind=i32),	public,	allocatable	::	m2l_source_nodes(:)
integer(kind=i32),	public,	allocatable	::	m2l_shift_idx1(:)
integer(kind=i32),	public,	allocatable	::	m2l_shift_idx2(:)
integer(kind=i32),	public,	allocatable	::	m2l_target_start(:)
integer(kind=i32),	public,	allocatable	::	m2l_pair_order(:)
integer(kind=i32),	public,	allocatable	::	source_parent_of(:)
integer(kind=i32),	public,	allocatable	::	parent_of(:)
integer(kind=i32),	public,	allocatable	::	m2m_term_count(:)
integer(kind=i32),	public,	allocatable	::	m2m_alpha_list(:,:)
integer(kind=i32),	public,	allocatable	::	m2m_delta_list(:,:)
integer(kind=i32),	public,	allocatable	::	l2l_term_count(:)
integer(kind=i32),	public,	allocatable	::	l2l_gamma_list(:,:)
integer(kind=i32),	public,	allocatable	::	l2l_delta_list(:,:)
real(kind=dp),	public,	allocatable	::	shift_axis1(:)
real(kind=dp),	public,	allocatable	::	shift_axis2(:)
type(periodic2_ewald_data_type),	public		::	periodic_ewald	=	periodic2_ewald_data_type()
logical,	public		::	periodic_root_operator_ready	=	.false.
integer(kind=i32),	public		::	periodic_root_target_count	=	0_i32
integer(kind=i32),	public,	allocatable	::	periodic_root_target_nodes(:)
real(kind=dp),	public,	allocatable	::	periodic_root_operator(:,:,:)
real(kind=dp),	public,	allocatable	::	m2l_deriv(:,:)
real(kind=dp),	public,	allocatable	::	source_p2m_basis(:,:)
real(kind=dp),	public,	allocatable	::	source_shift_monomial(:,:)
real(kind=dp),	public,	allocatable	::	target_shift_monomial(:,:)

type, public :: fmm_state_type

Components

Type	Visibility	Attributes		Name		Initial
logical,	public		::	ready	=	.false.
integer(kind=i32),	public		::	update_count	=	0_i32
real(kind=dp),	public,	pointer	::	src_q(:)	=>	null()
real(kind=dp),	public,	pointer	::	multipole(:,:)	=>	null()
real(kind=dp),	public,	pointer	::	local(:,:)	=>	null()
integer(kind=i32),	public,	pointer	::	multipole_active(:)	=>	null()
integer(kind=i32),	public,	pointer	::	local_active(:)	=>	null()

Subroutines

public subroutine reset_periodic2_ewald_data(data)

periodic2 Ewald 用の補助データを初期状態へ戻す。

Arguments

Type	Intent	Optional	Attributes		Name
type(periodic2_ewald_data_type),	intent(inout)			::	data	リセット対象の補助データ。

public subroutine reset_fmm_plan(plan)

FMM plan を初期状態へ戻す。

Arguments

Type	Intent	Optional	Attributes		Name
type(fmm_plan_type),	intent(inout)			::	plan	リセット対象の FMM plan。

public subroutine initialize_fmm_state(state)

FMM state のポインタ成分を未関連状態へ初期化する。

Arguments

Type	Intent	Optional	Attributes		Name
type(fmm_state_type),	intent(inout)			::	state	初期化対象の FMM state。

public subroutine reset_fmm_state(state)

FMM state を初期状態へ戻す。

Arguments

Type	Intent	Optional	Attributes		Name
type(fmm_state_type),	intent(inout)			::	state	リセット対象の FMM state。

bem_coulomb_fmm_types Module

Contents

Variables

Derived Types

Subroutines

Uses

Used by

Variables

Derived Types

type, public :: fmm_options_type

Components

type, public :: periodic2_ewald_data_type

Components

type, public :: fmm_plan_type

Components

type, public :: fmm_state_type

Components

Subroutines

public subroutine reset_periodic2_ewald_data(data)

Arguments

public subroutine reset_fmm_plan(plan)

Arguments

public subroutine initialize_fmm_state(state)

Arguments

public subroutine reset_fmm_state(state)

Arguments