bem_coulomb_fmm_periodic_ewald Module

periodic2 cached operator生成用のEwald teacher。


Uses

  • module~~bem_coulomb_fmm_periodic_ewald~~UsesGraph module~bem_coulomb_fmm_periodic_ewald bem_coulomb_fmm_periodic_ewald module~bem_coulomb_fmm_periodic bem_coulomb_fmm_periodic module~bem_coulomb_fmm_periodic_ewald->module~bem_coulomb_fmm_periodic module~bem_coulomb_fmm_types bem_coulomb_fmm_types module~bem_coulomb_fmm_periodic_ewald->module~bem_coulomb_fmm_types module~bem_kinds bem_kinds module~bem_coulomb_fmm_periodic_ewald->module~bem_kinds module~bem_coulomb_fmm_periodic->module~bem_coulomb_fmm_types module~bem_coulomb_fmm_periodic->module~bem_kinds module~bem_coulomb_fmm_types->module~bem_kinds module~bem_panel_geometry bem_panel_geometry module~bem_coulomb_fmm_types->module~bem_panel_geometry module~bem_periodic_zero_mode_plan bem_periodic_zero_mode_plan module~bem_coulomb_fmm_types->module~bem_periodic_zero_mode_plan iso_fortran_env iso_fortran_env module~bem_kinds->iso_fortran_env module~bem_panel_geometry->module~bem_kinds ieee_arithmetic ieee_arithmetic module~bem_panel_geometry->ieee_arithmetic module~bem_periodic_zero_mode_plan->module~bem_kinds module~bem_periodic_zero_mode_plan->ieee_arithmetic module~bem_constants bem_constants module~bem_periodic_zero_mode_plan->module~bem_constants module~bem_types bem_types module~bem_periodic_zero_mode_plan->module~bem_types module~bem_constants->module~bem_kinds module~bem_types->module~bem_kinds

Used by

  • module~~bem_coulomb_fmm_periodic_ewald~~UsedByGraph module~bem_coulomb_fmm_periodic_ewald bem_coulomb_fmm_periodic_ewald module~bem_coulomb_fmm_periodic_root_ops bem_coulomb_fmm_periodic_root_ops module~bem_coulomb_fmm_periodic_root_ops->module~bem_coulomb_fmm_periodic_ewald module~bem_coulomb_fmm_plan_ops bem_coulomb_fmm_plan_ops module~bem_coulomb_fmm_plan_ops->module~bem_coulomb_fmm_periodic_ewald module~bem_coulomb_fmm_plan_ops->module~bem_coulomb_fmm_periodic_root_ops module~bem_coulomb_fmm_core_build bem_coulomb_fmm_core_build module~bem_coulomb_fmm_core_build->module~bem_coulomb_fmm_plan_ops

Functions

public function resolve_periodic2_ewald_alpha(plan)

periodic2 Ewald の減衰係数 alpha を決定する。

Arguments

Type IntentOptional Attributes Name
type(fmm_plan_type), intent(in) :: plan

FMM 計画。

Return Value real(kind=dp)


Subroutines

public subroutine precompute_periodic2_ewald_data(plan)

periodic2 Ewald の事前計算データを作成する。

Arguments

Type IntentOptional Attributes Name
type(fmm_plan_type), intent(inout) :: plan

FMM 計画。

public subroutine add_periodic2_exact_ewald_correction_single_source(plan, q, src, target, e)

1 粒子分の periodic2 Ewald 補正を加算する。

Arguments

Type IntentOptional Attributes Name
type(fmm_plan_type), intent(in) :: plan

FMM 計画。
real(kind=dp), intent(in) :: q

電荷量。
real(kind=dp), intent(in) :: src(3)
real(kind=dp), intent(in) :: target(3)
real(kind=dp), intent(inout) :: e(3)

public subroutine add_periodic2_exact_ewald_kneq0_correction_single_source(plan, q, src, target, e)

Arguments

Type IntentOptional Attributes Name
type(fmm_plan_type), intent(in) :: plan
real(kind=dp), intent(in) :: q
real(kind=dp), intent(in) :: src(3)
real(kind=dp), intent(in) :: target(3)
real(kind=dp), intent(inout) :: e(3)

public subroutine add_periodic2_exact_ewald_potential_correction_single_source(plan, q, src, target, phi)

1 粒子分の periodic2 Ewald の電位補正を加算する。

Arguments

Type IntentOptional Attributes Name
type(fmm_plan_type), intent(in) :: plan

FMM 計画。
real(kind=dp), intent(in) :: q

電荷量。
real(kind=dp), intent(in) :: src(3)
real(kind=dp), intent(in) :: target(3)
real(kind=dp), intent(inout) :: phi

電位。

public subroutine add_periodic2_kneq0_potential_correction_single_source(plan, q, src, target, phi)

Arguments

Type IntentOptional Attributes Name
type(fmm_plan_type), intent(in) :: plan
real(kind=dp), intent(in) :: q
real(kind=dp), intent(in) :: src(3)
real(kind=dp), intent(in) :: target(3)
real(kind=dp), intent(inout) :: phi