add_periodic2_exact_ewald_potential_correction_single_source Subroutine

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。

Called by

proc~~add_periodic2_exact_ewald_potential_correction_single_source~~CalledByGraph proc~add_periodic2_exact_ewald_potential_correction_single_source add_periodic2_exact_ewald_potential_correction_single_source proc~add_periodic2_exact_ewald_potential_correction_all_sources add_periodic2_exact_ewald_potential_correction_all_sources proc~add_periodic2_exact_ewald_potential_correction_all_sources->proc~add_periodic2_exact_ewald_potential_correction_single_source proc~core_eval_potential_point_impl core_eval_potential_point_impl proc~core_eval_potential_point_impl->proc~add_periodic2_exact_ewald_potential_correction_all_sources proc~core_eval_potential_points_impl core_eval_potential_points_impl proc~core_eval_potential_points_impl->proc~add_periodic2_exact_ewald_potential_correction_all_sources

Source Code

  subroutine add_periodic2_exact_ewald_potential_correction_single_source(plan, q, src, target, phi)
    type(fmm_plan_type), intent(in) :: plan
    real(dp), intent(in) :: q
    real(dp), intent(in) :: src(3), target(3)
    real(dp), intent(inout) :: phi

    if (.not. plan%periodic_ewald%ready) return
    if (abs(q) <= tiny(1.0d0)) return

    call add_exact_periodic2_real_space_potential_correction(plan, q, src, target, phi)
    call add_exact_periodic2_reciprocal_space_potential_correction(plan, q, src, target, phi)
    call add_exact_periodic2_k0_potential_correction(plan, q, src, target, phi)
  end subroutine add_periodic2_exact_ewald_potential_correction_single_source