!> lint 済みの粒子種識別子と有効な粒子源の派生量を確定する。 submodule(bem_app_config_parser) bem_app_config_parser_preflight_particles use bem_app_config_types, only: particle_inflow_none, particles_per_batch_from_config use bem_config_helpers, only: resolve_particle_boundaries, particle_boundary_action_for_face, species_temperature_k implicit none contains !> 粒子種ごとに key を確定し、境界・粒子源・電荷 closure を検査する。二次電子の target は全種の key が !! 確定してから解決する（2 パス）。最後に batch 粒子数の上限を検査する。 module procedure validate_particle_species_config integer :: i integer(i32) :: batch_n, effective_low(3), effective_high(3) logical :: has_boundary_inflow if (cfg%secondary_emission_max_generations < 0_i32) then call stop_config_error("particles.secondary_emission.max_generations must be >= 0.") end if do i = 1, cfg%n_particle_species call resolve_species_key(cfg, i) if (.not. cfg%particle_species(i)%enabled) cycle cfg%particle_species(i)%source_mode = lower_ascii(trim(cfg%particle_species(i)%source_mode)) cfg%particle_species(i)%surface_charge_closure = & lower_ascii(trim(cfg%particle_species(i)%surface_charge_closure)) has_boundary_inflow = any(cfg%particle_species(i)%boundary_inflow_low /= particle_inflow_none) .or. & any(cfg%particle_species(i)%boundary_inflow_high /= particle_inflow_none) call validate_species_boundaries(cfg, i, effective_low, effective_high) call validate_species_source(cfg, i, has_boundary_inflow) call validate_surface_charge_closure(cfg, i, effective_low, effective_high) end do ! Resolve targets after every species has received its unique key. do i = 1, cfg%n_particle_species if (.not. cfg%particle_species(i)%enabled .or. .not. cfg%particle_species(i)%secondary_emission_enabled) cycle call resolve_secondary_emission_target(cfg, i) end do batch_n = particles_per_batch_from_config(cfg) end procedure validate_particle_species_config !> 省略された species key を `species_<i>` で補い、それより前の種と重複しないことを確かめる。 subroutine resolve_species_key(cfg, species_idx) type(app_config), intent(inout) :: cfg integer, intent(in) :: species_idx character(len=64) :: generated_species_key integer :: j if (len_trim(cfg%particle_species(species_idx)%species_key) == 0) then write (generated_species_key, '(a,i0)') 'species_', species_idx cfg%particle_species(species_idx)%species_key = trim(generated_species_key) end if do j = 1, species_idx - 1 if (trim(cfg%particle_species(j)%species_key) == trim(cfg%particle_species(species_idx)%species_key)) then call stop_config_error(species_config_path(species_idx)//'.species_key values must be unique: '// & trim(cfg%particle_species(species_idx)%species_key)) end if end do end subroutine resolve_species_key !> 電荷と粒子境界の組合せ（有限 box、周期面、流入面の open 動作）を検査し、実効境界動作を返す。 subroutine validate_species_boundaries(cfg, species_idx, effective_low, effective_high) type(app_config), intent(in) :: cfg integer, intent(in) :: species_idx integer(i32), intent(out) :: effective_low(3), effective_high(3) integer :: axis associate (spec => cfg%particle_species(species_idx)) if (.not. ieee_is_finite(spec%q_particle) .or. spec%q_particle == 0.0_dp) then error stop species_config_path(species_idx)//'.charge_c must be finite and non-zero for an enabled species.' end if if (.not. cfg%sim%use_box .and. & (any(spec%boundary_low /= particle_bc_inherit) .or. any(spec%boundary_high /= particle_bc_inherit))) then error stop species_config_path(species_idx)//'.boundary requires a finite [domain].' end if do axis = 1, 3 if (cfg%sim%bc_low(axis) /= bc_periodic) cycle if (spec%boundary_low(axis) /= particle_bc_inherit .or. spec%boundary_high(axis) /= particle_bc_inherit) then error stop species_config_path(species_idx)//'.boundary cannot override a periodic domain face.' end if if (spec%boundary_inflow_low(axis) /= particle_inflow_none .or. & spec%boundary_inflow_high(axis) /= particle_inflow_none) then error stop species_config_path(species_idx)//'.inflow cannot inject through a periodic domain face.' end if end do call resolve_particle_boundaries( & cfg%sim, cfg%particle_boundary_low, cfg%particle_boundary_high, spec, effective_low, effective_high & ) do axis = 1, 3 if ((spec%boundary_inflow_low(axis) /= particle_inflow_none .and. effective_low(axis) /= bc_open) .or. & (spec%boundary_inflow_high(axis) /= particle_inflow_none .and. effective_high(axis) /= bc_open)) then error stop species_config_path(species_idx)//'.inflow requires an open particle boundary action on the inflow face.' end if end do end associate end subroutine validate_species_boundaries !> source mode ごとの条件を検査し、流入重みと photo ray 方向を確定する。 subroutine validate_species_source(cfg, species_idx, has_boundary_inflow) type(app_config), intent(inout) :: cfg integer, intent(in) :: species_idx logical, intent(in) :: has_boundary_inflow if (has_boundary_inflow .and. trim(cfg%particle_species(species_idx)%source_mode) /= 'volume_seed') then call stop_config_error(species_config_path(species_idx)//'.inflow cannot be combined with '// & species_config_path(species_idx)//'.source.mode="'// & trim(cfg%particle_species(species_idx)%source_mode)//'".') end if ! 位置は box/face 相対指定の展開結果なので、入力値の有限性だけでは保証できない。 if (.not. all(ieee_is_finite(cfg%particle_species(species_idx)%pos_low)) .or. & .not. all(ieee_is_finite(cfg%particle_species(species_idx)%pos_high))) then error stop species_config_path(species_idx)//'.source.pos_low/'//species_config_path(species_idx)// & '.source.pos_high must contain finite values.' end if select case (trim(cfg%particle_species(species_idx)%source_mode)) case ('volume_seed') call validate_volume_seed_species(cfg%particle_species(species_idx), species_idx, has_boundary_inflow) if (has_boundary_inflow) call resolve_boundary_inflow_weight(cfg, species_idx) case ('photo_raycast') call resolve_photo_raycast_direction(cfg, species_idx) case ('secondary_emission') associate (spec => cfg%particle_species(species_idx)) if (spec%has_secondary_forbidden_source_option) then call stop_config_error('secondary_emission species must omit sampling, inflow, and emission source options.') end if if (spec%has_surface_charge_closure .or. trim(spec%surface_charge_closure) /= 'explicit') then call stop_config_error('secondary_emission species must omit '//species_config_path(species_idx)// & '.charging.closure and remain fully tracked.') end if if (spec%q_particle >= 0.0_dp .or. spec%m_particle <= 0.0_dp .or. species_temperature_k(spec) < 0.0_dp) then call stop_config_error('secondary_emission requires negative charge, positive mass, and nonnegative temperature.') end if end associate case default call stop_config_error('Unknown '//species_config_path(species_idx)//'.source.mode.') end select end subroutine validate_species_source !> 二次電子の収率モデルを検査し、target species を有効な secondary_emission 種の index へ解決する。 subroutine resolve_secondary_emission_target(cfg, species_idx) type(app_config), intent(inout) :: cfg integer, intent(in) :: species_idx integer :: j associate (spec => cfg%particle_species(species_idx)) select case (trim(spec%secondary_emission_model)) case ('whipple') if (spec%secondary_emission_yield_max <= 0.0_dp .or. spec%secondary_emission_energy_max_ev <= 0.0_dp) then call stop_config_error('whipple SEE requires '//species_config_path(species_idx)// & '.surface_interaction.secondary_emission.yield_max > 0 and '// & species_config_path(species_idx)//'.surface_interaction.secondary_emission.energy_max_ev > 0.') end if case ('constant') if (spec%secondary_emission_const_yield < 0.0_dp) then call stop_config_error('constant SEE requires '//species_config_path(species_idx)// & '.surface_interaction.secondary_emission.const_yield >= 0.') end if case default call stop_config_error(species_config_path(species_idx)// & '.surface_interaction.secondary_emission.model must be "whipple" or "constant".') end select spec%secondary_emission_target_idx = 0_i32 do j = 1, cfg%n_particle_species if (len_trim(spec%secondary_emission_target_species) == 0) exit if (.not. cfg%particle_species(j)%enabled) cycle if (trim(spec%secondary_emission_target_species) /= trim(cfg%particle_species(j)%species_key)) cycle if (trim(cfg%particle_species(j)%source_mode) /= 'secondary_emission') exit spec%secondary_emission_target_idx = int(j, i32) exit end do if (spec%secondary_emission_target_idx == 0_i32) then call stop_config_error(species_config_path(species_idx)// & '.surface_interaction.secondary_emission.target_species must name an enabled '// & 'secondary_emission species.') end if end associate end subroutine resolve_secondary_emission_target !> volume_seed の体積生成と reservoir 流入が共有する粒子属性と生成領域を検査する。 !! slot 生成はこれらを再検査せずに使うので、native 入口ではここが唯一の所有者になる。 !! 点状・平面状の生成領域（`pos_low == pos_high` の成分）と温度 0 は有効な入力として受け入れる。 subroutine validate_volume_seed_species(spec, species_idx, has_boundary_inflow) type(particle_species_spec), intent(in) :: spec integer, intent(in) :: species_idx logical, intent(in) :: has_boundary_inflow real(dp) :: temperature_k if (.not. ieee_is_finite(spec%m_particle) .or. spec%m_particle <= 0.0_dp) then call stop_config_error(species_config_path(species_idx)//'.mass_kg must be finite and > 0.') end if temperature_k = species_temperature_k(spec) if (.not. ieee_is_finite(temperature_k) .or. temperature_k < 0.0_dp) then call stop_config_error(species_config_path(species_idx)//'.distribution must resolve to a finite temperature >= 0.') end if if (any(spec%pos_high < spec%pos_low)) then call stop_config_error(species_config_path(species_idx)//'.source.pos_high must be >= '// & species_config_path(species_idx)//'.source.pos_low in every component.') end if ! target_macro_particles_per_batch は流入 flux から重みを導くので、reservoir 流入面がないと意味を持たない。 if (spec%has_target_macro_particles_per_batch .and. .not. has_boundary_inflow) then call stop_config_error(species_config_path(species_idx)//'.sampling.target_macro_particles_per_batch requires '// & species_config_path(species_idx)//'.inflow; volume_seed uses '// & species_config_path(species_idx)//'.sampling.weight.') end if ! 流入重みは、解決する resolve_boundary_inflow_weight が検査する。 if (has_boundary_inflow .and. spec%has_target_macro_particles_per_batch) return if (.not. ieee_is_finite(spec%w_particle) .or. spec%w_particle <= 0.0_dp) then call stop_config_error(species_config_path(species_idx)//'.sampling.weight must be finite and > 0.') end if end subroutine validate_volume_seed_species !> 表面 source 電荷 closure が、その closure を適用できる粒子源と目標電流を持つことを確認する。 subroutine validate_surface_charge_closure(cfg, species_idx, effective_low, effective_high) type(app_config), intent(in) :: cfg integer, intent(in) :: species_idx integer(i32), intent(in) :: effective_low(3), effective_high(3) integer(i32) :: inject_action logical :: automatic_current_species associate (spec => cfg%particle_species(species_idx)) select case (trim(spec%surface_charge_closure)) case ('explicit') if (spec%has_target_absorbed_current_a .or. spec%has_target_emission_current_a) then error stop 'target surface currents require '//species_config_path(species_idx)//'.charging.closure="fixed_current".' end if case ('fixed_current') if (.not. ieee_is_finite(cfg%sim%batch_duration) .or. cfg%sim%batch_duration <= 0.0_dp) then error stop 'run.batch.duration_s must be > 0 for fixed_current.' end if automatic_current_species = trim(lower_ascii(cfg%surface_current%model)) == 'zhao_stationary' .and. & (trim(spec%species_key) == trim(cfg%surface_current%electron_species) .or. & trim(spec%species_key) == trim(cfg%surface_current%ion_species) .or. & trim(spec%species_key) == trim(cfg%surface_current%photoelectron_species)) if (.not. (spec%has_target_absorbed_current_a .or. spec%has_target_emission_current_a .or. & automatic_current_species)) then error stop 'fixed_current requires at least one target current.' end if if (spec%has_target_absorbed_current_a) then if (.not. ieee_is_finite(spec%target_absorbed_current_a) .or. & spec%target_absorbed_current_a*spec%q_particle < 0.0_dp) then error stop species_config_path(species_idx)// & '.charging.target_absorbed_current_a must be finite and have the same sign as '// & species_config_path(species_idx)//'.charge_c.' end if end if if (spec%has_target_emission_current_a) then if (trim(spec%source_mode) /= 'photo_raycast' .or. .not. spec%deposit_opposite_charge_on_emit .or. & .not. ieee_is_finite(spec%target_emission_current_a) .or. & spec%target_emission_current_a*spec%q_particle > 0.0_dp) then error stop species_config_path(species_idx)// & '.charging.target_emission_current_a requires photo_raycast, an opposite-charge emission deposit, '// & 'and current sign opposite to '//species_config_path(species_idx)//'.charge_c.' end if end if case ('neutral_return') if (.not. cfg%sim%use_box) error stop 'neutral_return requires a finite [domain].' inject_action = particle_boundary_action_for_face(effective_low, effective_high, spec%inject_face) if (trim(spec%source_mode) /= 'photo_raycast' .or. spec%q_particle >= 0.0_dp .or. & .not. spec%deposit_opposite_charge_on_emit .or. & (inject_action /= bc_reflect .and. inject_action /= bc_redistributed_reflect)) then error stop 'neutral_return requires a negative photo_raycast species, '// & species_config_path(species_idx)//'.source.deposit_opposite_charge_on_emit=true, '// & 'and a reflecting action on '//species_config_path(species_idx)//'.source.inject_face.' end if case default error stop species_config_path(species_idx)//'.charging.closure must be "explicit", "fixed_current", or "neutral_return".' end select end associate end subroutine validate_surface_charge_closure end submodule bem_app_config_parser_preflight_particles