From 96bb43ddab523a6a4c07eb7d4d1333c4b2bff06e Mon Sep 17 00:00:00 2001 From: Henry LE BERRE Date: Wed, 16 Oct 2024 17:29:52 -0400 Subject: [PATCH] CheMFC fixes for HLL+Advection & Pressure/Energy Co-authored-by: Dimitrios Adam --- src/common/m_thermochem.fpp | 3 +- src/common/m_variables_conversion.fpp | 33 ++++++------ src/post_process/m_start_up.f90 | 29 ++++++++--- src/pre_process/m_data_output.fpp | 4 +- src/simulation/m_cbc.fpp | 2 +- src/simulation/m_chemistry.fpp | 72 ++++++-------------------- src/simulation/m_data_output.fpp | 13 ++--- src/simulation/m_global_parameters.fpp | 20 +++---- src/simulation/m_rhs.fpp | 22 +------- src/simulation/m_riemann_solvers.fpp | 52 +++++++++++++++++-- src/simulation/m_start_up.fpp | 4 +- toolchain/mfc/run/case_dicts.py | 8 +-- 12 files changed, 133 insertions(+), 129 deletions(-) diff --git a/src/common/m_thermochem.fpp b/src/common/m_thermochem.fpp index 899d012a9a..d11a3e7afb 100644 --- a/src/common/m_thermochem.fpp +++ b/src/common/m_thermochem.fpp @@ -7,7 +7,8 @@ module m_thermochem num_species, species_names, gas_constant, mol_weights, & get_temperature, get_net_production_rates, get_pressure, & get_mixture_molecular_weight, get_mixture_energy_mass, & - get_temperature + get_mixture_specific_heat_cv_mass, get_mixture_specific_heat_cp_mass, & + get_species_enthalpies_rt #:endif implicit none diff --git a/src/common/m_variables_conversion.fpp b/src/common/m_variables_conversion.fpp index 35c1ad9757..427767040e 100644 --- a/src/common/m_variables_conversion.fpp +++ b/src/common/m_variables_conversion.fpp @@ -127,20 +127,21 @@ contains !! @param pres Pressure to calculate !! @param stress Shear Stress !! @param mom Momentum - subroutine s_compute_pressure(energy, alf, dyn_p, pi_inf, gamma, rho, qv, rhoYks, pres, stress, mom, G) + subroutine s_compute_pressure(energy, alf, dyn_p, pi_inf, gamma, rho, qv, rhoYks, pres, T, stress, mom, G) + !$acc routine seq real(kind(0d0)), intent(in) :: energy, alf real(kind(0d0)), intent(in) :: dyn_p real(kind(0d0)), intent(in) :: pi_inf, gamma, rho, qv - real(kind(0d0)), intent(out) :: pres + real(kind(0d0)), intent(out) :: pres, T real(kind(0d0)), intent(in), optional :: stress, mom, G ! Chemistry integer :: i real(kind(0d0)), dimension(1:num_species), intent(in) :: rhoYks real(kind(0d0)) :: E_e - real(kind(0d0)) :: T + real(kind(0d0)) :: e_Per_Kg, Pdyn_Per_Kg real(kind(0d0)), dimension(1:num_species) :: Y_rs integer :: s !< Generic loop iterator @@ -189,12 +190,11 @@ contains Y_rs(i) = rhoYks(i)/rho end do - if (sum(Y_rs) > 1d-16) then - call get_temperature(.true., energy - dyn_p, 1200d0, Y_rs, T) - call get_pressure(rho, T, Y_rs, pres) - else - pres = 0d0 - end if + e_Per_Kg = energy/rho + Pdyn_Per_Kg = dyn_p/rho + + call get_temperature(e_Per_Kg - Pdyn_Per_Kg, 1200d0, Y_rs, .true., T) + call get_pressure(rho, T, Y_rs, pres) #:endif @@ -886,7 +886,7 @@ contains real(kind(0d0)) :: G_K - real(kind(0d0)) :: pres, Yksum + real(kind(0d0)) :: pres, Yksum, T integer :: i, j, k, l, q !< Generic loop iterators @@ -1004,9 +1004,12 @@ contains call s_compute_pressure(qK_cons_vf(E_idx)%sf(j, k, l), & qK_cons_vf(alf_idx)%sf(j, k, l), & - dyn_pres_K, pi_inf_K, gamma_K, rho_K, qv_K, rhoYks, pres) + dyn_pres_K, pi_inf_K, gamma_K, rho_K, qv_K, rhoYks, pres, T) qK_prim_vf(E_idx)%sf(j, k, l) = pres + if (chemistry) then + qK_prim_vf(tempxb)%sf(j, k, l) = T + end if if (bubbles) then !$acc loop seq @@ -1117,7 +1120,7 @@ contains integer :: spec real(kind(0d0)), dimension(num_species) :: Ys - real(kind(0d0)) :: temperature, e_mix, mix_mol_weight, T + real(kind(0d0)) :: e_mix, mix_mol_weight, T #ifndef MFC_SIMULATION ! Converting the primitive variables to the conservative variables @@ -1158,13 +1161,13 @@ contains end do call get_mixture_molecular_weight(Ys, mix_mol_weight) - T = q_prim_vf(E_idx)%sf(j, k, l)*mix_mol_weight/(gas_constant*rho) + T = q_prim_vf(tempxb)%sf(j, k, l) call get_mixture_energy_mass(T, Ys, e_mix) q_cons_vf(E_idx)%sf(j, k, l) = & - dyn_pres + e_mix + dyn_pres + rho*e_mix - q_cons_vf(tempxb)%sf(j, k, l) = T + q_cons_vf(tempxb)%sf(j, k, l) = q_prim_vf(tempxb)%sf(j, k, l) #:else ! Computing the energy from the pressure if ((model_eqns /= 4) .and. (bubbles .neqv. .true.)) then diff --git a/src/post_process/m_start_up.f90 b/src/post_process/m_start_up.f90 index 78b42a7bff..062fb614c1 100644 --- a/src/post_process/m_start_up.f90 +++ b/src/post_process/m_start_up.f90 @@ -296,19 +296,32 @@ subroutine s_save_data(t_step, varname, pres, c, H) ! ---------------------------------------------------------------------- ! Adding the species' concentrations to the formatted database file ---- - do i = 1, num_species - if (chem_wrt_Y(i) .or. prim_vars_wrt) then - q_sf = q_prim_vf(chemxb + i - 1)%sf(-offset_x%beg:m + offset_x%end, & - -offset_y%beg:n + offset_y%end, & - -offset_z%beg:p + offset_z%end) + if (chemistry) then + do i = 1, num_species + if (chem_wrt_Y(i) .or. prim_vars_wrt) then + q_sf = q_prim_vf(chemxb + i - 1)%sf(-offset_x%beg:m + offset_x%end, & + -offset_y%beg:n + offset_y%end, & + -offset_z%beg:p + offset_z%end) + + write (varname, '(A,A)') 'Y_', trim(species_names(i)) + call s_write_variable_to_formatted_database_file(varname, t_step) + + varname(:) = ' ' + + end if + end do + + if (chem_wrt_T) then + q_sf = q_prim_vf(tempxb)%sf(-offset_x%beg:m + offset_x%end, & + -offset_y%beg:n + offset_y%end, & + -offset_z%beg:p + offset_z%end) - write (varname, '(A,A)') 'Y_', trim(species_names(i)) + write (varname, '(A)') 'T' call s_write_variable_to_formatted_database_file(varname, t_step) varname(:) = ' ' - end if - end do + end if ! Adding the flux limiter function to the formatted database file do i = 1, E_idx - mom_idx%beg diff --git a/src/pre_process/m_data_output.fpp b/src/pre_process/m_data_output.fpp index e17773787f..a327961313 100644 --- a/src/pre_process/m_data_output.fpp +++ b/src/pre_process/m_data_output.fpp @@ -104,7 +104,7 @@ contains real(kind(0d0)) :: nbub !< Temporary bubble number density real(kind(0d0)) :: gamma, lit_gamma, pi_inf, qv !< Temporary EOS params real(kind(0d0)) :: rho !< Temporary density - real(kind(0d0)) :: pres !< Temporary pressure + real(kind(0d0)) :: pres, Temp !< Temporary pressure real(kind(0d0)) :: nR3 real(kind(0d0)) :: ntmp @@ -273,7 +273,7 @@ contains q_cons_vf(E_idx)%sf(j, 0, 0), & q_cons_vf(alf_idx)%sf(j, 0, 0), & 0.5d0*(q_cons_vf(mom_idx%beg)%sf(j, 0, 0)**2.d0)/rho, & - pi_inf, gamma, rho, qv, rhoYks, pres) + pi_inf, gamma, rho, qv, rhoYks, pres, Temp) write (2, FMT) x_cb(j), pres else if ((i >= bub_idx%beg) .and. (i <= bub_idx%end) .and. bubbles) then diff --git a/src/simulation/m_cbc.fpp b/src/simulation/m_cbc.fpp index 5b95b6d92f..7267018586 100644 --- a/src/simulation/m_cbc.fpp +++ b/src/simulation/m_cbc.fpp @@ -646,6 +646,7 @@ contains real(kind(0d0)), dimension(num_fluids) :: adv, dadv_ds real(kind(0d0)), dimension(sys_size) :: L real(kind(0d0)), dimension(3) :: lambda + real(kind(0d0)), dimension(num_species) :: Y_s real(kind(0d0)) :: rho !< Cell averaged density real(kind(0d0)) :: pres !< Cell averaged pressure @@ -803,7 +804,6 @@ contains end do E = gamma*pres + pi_inf + 5d-1*rho*vel_K_sum - H = (E + pres)/rho ! Compute mixture sound speed diff --git a/src/simulation/m_chemistry.fpp b/src/simulation/m_chemistry.fpp index d1d9b67d6c..966c5e71a3 100644 --- a/src/simulation/m_chemistry.fpp +++ b/src/simulation/m_chemistry.fpp @@ -55,41 +55,6 @@ contains end subroutine s_finalize_chemistry_module - #:for NORM_DIR, XYZ in [(1, 'x'), (2, 'y'), (3, 'z')] - subroutine s_compute_chemistry_rhs_${XYZ}$ (flux_n, rhs_vf, flux_src_vf, q_prim_vf) - - type(vector_field), dimension(:), intent(IN) :: flux_n - type(scalar_field), dimension(sys_size), intent(INOUT) :: rhs_vf, flux_src_vf, q_prim_vf - type(int_bounds_info) :: ix, iy, iz - - integer :: x, y, z - integer :: eqn - - integer, parameter :: mx = ${1 if NORM_DIR == 1 else 0}$ - integer, parameter :: my = ${1 if NORM_DIR == 2 else 0}$ - integer, parameter :: mz = ${1 if NORM_DIR == 3 else 0}$ - - !$acc parallel loop collapse(4) present(rhs_vf, flux_n) - do x = 0, m - do y = 0, n - do z = 0, p - - do eqn = chemxb, chemxe - - ! \nabla \cdot (F) - rhs_vf(eqn)%sf(x, y, z) = rhs_vf(eqn)%sf(x, y, z) + & - (flux_n(${NORM_DIR}$)%vf(eqn)%sf(x - mx, y - my, z - mz) - & - flux_n(${NORM_DIR}$)%vf(eqn)%sf(x, y, z))/d${XYZ}$ (${XYZ}$) - - end do - - end do - end do - end do - - end subroutine s_compute_chemistry_rhs_${XYZ}$ - #:endfor - subroutine s_compute_chemistry_reaction_flux(rhs_vf, q_cons_qp, q_prim_qp) type(scalar_field), dimension(sys_size), intent(INOUT) :: rhs_vf, q_cons_qp, q_prim_qp @@ -104,50 +69,47 @@ contains real(kind(0d0)) :: dyn_pres real(kind(0d0)) :: E - real(kind(0d0)) :: rho - real(kind(1.d0)), dimension(num_species) :: Ys - real(kind(1.d0)), dimension(num_species) :: omega + real(kind(0d0)) :: rho, omega_m, omega_T + real(kind(0d0)), dimension(num_species) :: Ys + real(kind(0d0)), dimension(num_species) :: omega real(kind(0d0)), dimension(num_species) :: enthalpies real(kind(0d0)) :: cp_mix #:if chemistry - !$acc parallel loop collapse(4) private(rho) + !$acc parallel loop collapse(3) private(rho) do x = 0, m do y = 0, n do z = 0, p - ! Maybe use q_prim_vf instead? rho = 0d0 do eqn = chemxb, chemxe rho = rho + q_cons_qp(eqn)%sf(x, y, z) end do do eqn = chemxb, chemxe - Ys(eqn - chemxb + 1) = q_cons_qp(eqn)%sf(x, y, z)/rho + Ys(eqn - chemxb + 1) = q_prim_qp(eqn)%sf(x, y, z) end do dyn_pres = 0d0 - do i = momxb, momxe - dyn_pres = dyn_pres + rho*q_cons_qp(i)%sf(x, y, z)* & - q_cons_qp(i)%sf(x, y, z)/2d0 + dyn_pres = dyn_pres + q_cons_qp(i)%sf(x, y, z)* & + q_prim_qp(i)%sf(x, y, z)/2d0 end do - call get_temperature(.true., q_cons_qp(E_idx)%sf(x, y, z) - dyn_pres, & - & q_prim_qp(tempxb)%sf(x, y, z), Ys, T) + call get_temperature(q_cons_qp(E_idx)%sf(x, y, z)/rho - dyn_pres/rho, & + & 1200d0, Ys, .true., T) call get_net_production_rates(rho, T, Ys, omega) - q_cons_qp(tempxb)%sf(x, y, z) = T - q_prim_qp(tempxb)%sf(x, y, z) = T - - !print*, x, y, z, T, rho, Ys, omega, q_cons_qp(E_idx)%sf(x, y, z), dyn_pres + call get_species_enthalpies_rt(T, enthalpies) do eqn = chemxb, chemxe - rhs_vf(eqn)%sf(x, y, z) = rhs_vf(eqn)%sf(x, y, z) + & - mol_weights(eqn - chemxb + 1)*omega(eqn - chemxb + 1) + omega_m = mol_weights(eqn - chemxb + 1)*omega(eqn - chemxb + 1) + omega_T = omega_m*enthalpies(eqn - chemxb + 1)*gas_constant*T + + rhs_vf(eqn)%sf(x, y, z) = rhs_vf(eqn)%sf(x, y, z) + omega_m end do @@ -171,9 +133,9 @@ contains integer :: eqn !$acc parallel loop collapse(4) - do x = ix%beg, ix%end - do y = iy%beg, iy%end - do z = iz%beg, iz%end + do x = 0, m + do y = 0, n + do z = 0, p do eqn = chemxb, chemxe q_cons_qp(eqn)%sf(x, y, z) = max(0d0, q_cons_qp(eqn)%sf(x, y, z)) diff --git a/src/simulation/m_data_output.fpp b/src/simulation/m_data_output.fpp index b5d33da119..22698cfb55 100644 --- a/src/simulation/m_data_output.fpp +++ b/src/simulation/m_data_output.fpp @@ -960,7 +960,7 @@ contains real(kind(0d0)) :: E_e real(kind(0d0)), dimension(6) :: tau_e real(kind(0d0)) :: G - real(kind(0d0)) :: dyn_p + real(kind(0d0)) :: dyn_p, Temp integer :: i, j, k, l, s, q, d !< Generic loop iterator @@ -1054,14 +1054,14 @@ contains call s_compute_pressure( & q_cons_vf(1)%sf(j - 2, k, l), & q_cons_vf(alf_idx)%sf(j - 2, k, l), & - dyn_p, pi_inf, gamma, rho, qv, rhoYks(:), pres, & + dyn_p, pi_inf, gamma, rho, qv, rhoYks(:), pres, Temp, & q_cons_vf(stress_idx%beg)%sf(j - 2, k, l), & q_cons_vf(mom_idx%beg)%sf(j - 2, k, l), G) else call s_compute_pressure( & q_cons_vf(1)%sf(j - 2, k, l), & q_cons_vf(alf_idx)%sf(j - 2, k, l), & - dyn_p, pi_inf, gamma, rho, qv, rhoYks(:), pres) + dyn_p, pi_inf, gamma, rho, qv, rhoYks(:), pres, Temp) end if if (model_eqns == 4) then @@ -1163,13 +1163,14 @@ contains dyn_p, pi_inf, gamma, rho, qv, & rhoYks, & pres, & + Temp, & q_cons_vf(stress_idx%beg)%sf(j - 2, k - 2, l), & q_cons_vf(mom_idx%beg)%sf(j - 2, k - 2, l), G) else call s_compute_pressure(q_cons_vf(E_idx)%sf(j - 2, k - 2, l), & q_cons_vf(alf_idx)%sf(j - 2, k - 2, l), & dyn_p, pi_inf, gamma, rho, qv, & - rhoYks, pres) + rhoYks, pres, Temp) end if if (model_eqns == 4) then @@ -1253,14 +1254,14 @@ contains q_cons_vf(1)%sf(j - 2, k - 2, l - 2), & q_cons_vf(alf_idx)%sf(j - 2, k - 2, l - 2), & dyn_p, pi_inf, gamma, rho, qv, & - rhoYks, pres, & + rhoYks, pres, Temp, & q_cons_vf(stress_idx%beg)%sf(j - 2, k - 2, l - 2), & q_cons_vf(mom_idx%beg)%sf(j - 2, k - 2, l - 2), G) else call s_compute_pressure(q_cons_vf(E_idx)%sf(j - 2, k - 2, l - 2), & q_cons_vf(alf_idx)%sf(j - 2, k - 2, l - 2), & dyn_p, pi_inf, gamma, rho, qv, & - rhoYks, pres) + rhoYks, pres, Temp) end if ! Compute mixture sound speed diff --git a/src/simulation/m_global_parameters.fpp b/src/simulation/m_global_parameters.fpp index 66f7aed25c..f8e1b45034 100644 --- a/src/simulation/m_global_parameters.fpp +++ b/src/simulation/m_global_parameters.fpp @@ -979,6 +979,16 @@ contains end if ! END: Volume Fraction Model ======================================= + if (chemistry) then + species_idx%beg = sys_size + 1 + species_idx%end = sys_size + num_species + sys_size = species_idx%end + + temperature_idx%beg = sys_size + 1 + temperature_idx%end = sys_size + 1 + sys_size = temperature_idx%end + end if + if (qbmm .and. .not. polytropic) then allocate (MPI_IO_DATA%view(1:sys_size + 2*nb*4)) allocate (MPI_IO_DATA%var(1:sys_size + 2*nb*4)) @@ -1067,16 +1077,6 @@ contains grid_geometry = 3 end if - if (chemistry) then - species_idx%beg = sys_size + 1 - species_idx%end = sys_size + num_species - sys_size = species_idx%end - - temperature_idx%beg = sys_size + 1 - temperature_idx%end = sys_size + 1 - sys_size = temperature_idx%end - end if - momxb = mom_idx%beg momxe = mom_idx%end advxb = adv_idx%beg diff --git a/src/simulation/m_rhs.fpp b/src/simulation/m_rhs.fpp index 2c8b99b5e9..ef7d087774 100644 --- a/src/simulation/m_rhs.fpp +++ b/src/simulation/m_rhs.fpp @@ -996,26 +996,6 @@ contains call nvtxEndRange ! END: Additional physics and source terms ========================= - #:if chemistry - if (chem_params%advection) then - call nvtxStartRange("RHS_Chem_Advection") - - #:for NORM_DIR, XYZ in [(1, 'x'), (2, 'y'), (3, 'z')] - - if (id == ${NORM_DIR}$) then - call s_compute_chemistry_rhs_${XYZ}$ ( & - flux_n, & - rhs_vf, & - flux_src_n(${NORM_DIR}$)%vf, & - q_prim_vf) - end if - - #:endfor - - call nvtxEndRange - end if - #:endif - end do ! END: Dimensional Splitting Loop ================================= @@ -1055,7 +1035,7 @@ contains #:if chemistry if (chem_params%reactions) then call nvtxStartRange("RHS_Chem_Reactions") - call s_compute_chemistry_reaction_flux(rhs_vf, q_cons_vf, q_prim_qp%vf) + call s_compute_chemistry_reaction_flux(rhs_vf, q_cons_qp%vf, q_prim_qp%vf) call nvtxEndRange end if #:endif diff --git a/src/simulation/m_riemann_solvers.fpp b/src/simulation/m_riemann_solvers.fpp index 0210882be8..cbbd696f0b 100644 --- a/src/simulation/m_riemann_solvers.fpp +++ b/src/simulation/m_riemann_solvers.fpp @@ -305,7 +305,14 @@ contains real(kind(0d0)) :: E_L, E_R real(kind(0d0)) :: H_L, H_R real(kind(0d0)), dimension(num_fluids) :: alpha_L, alpha_R + real(kind(0d0)), dimension(num_species) :: Ys_L, Ys_R + real(kind(0d0)) :: T_L, T_R real(kind(0d0)) :: Y_L, Y_R + real(kind(0d0)) :: MW_L, MW_R + real(kind(0d0)) :: R_gas_L, R_gas_R + real(kind(0d0)) :: Cp_L, Cp_R + real(kind(0d0)) :: Cv_L, Cv_R + real(kind(0d0)) :: Gamm_L, Gamm_R real(kind(0d0)) :: gamma_L, gamma_R real(kind(0d0)) :: pi_inf_L, pi_inf_R real(kind(0d0)) :: qv_L, qv_R @@ -469,11 +476,48 @@ contains end do end if - E_L = gamma_L*pres_L + pi_inf_L + 5d-1*rho_L*vel_L_rms + qv_L - E_R = gamma_R*pres_R + pi_inf_R + 5d-1*rho_R*vel_R_rms + qv_R + if (chemistry .and. chem_params%advection) then + #:if chemistry + !$acc loop seq + do i = chemxb, chemxe + Ys_L(i - chemxb + 1) = qL_prim_rs${XYZ}$_vf(j, k, l, i) + Ys_R(i - chemxb + 1) = qR_prim_rs${XYZ}$_vf(j + 1, k, l, i) + end do + + call get_mixture_molecular_weight(Ys_L, MW_L) + call get_mixture_molecular_weight(Ys_R, MW_R) + + R_gas_L = gas_constant/MW_L + R_gas_R = gas_constant/MW_R + + T_L = qL_prim_rs${XYZ}$_vf(j, k, l, tempxb) + T_R = qR_prim_rs${XYZ}$_vf(j + 1, k, l, tempxb) + + call get_mixture_energy_mass(T_L, Ys_L, E_L) + call get_mixture_energy_mass(T_R, Ys_R, E_R) + + call get_mixture_specific_heat_cp_mass(T_L, Ys_L, Cp_L) + call get_mixture_specific_heat_cp_mass(T_R, Ys_R, Cp_R) + call get_mixture_specific_heat_cv_mass(T_L, Ys_L, Cv_L) + call get_mixture_specific_heat_cv_mass(T_R, Ys_R, Cv_R) + + Gamm_L = Cp_L/Cv_L + gamma_L = 1.0d0/(Gamm_L - 1.0d0) + Gamm_R = Cp_R/Cv_R + gamma_R = 1.0d0/(Gamm_R - 1.0d0) - H_L = (E_L + pres_L)/rho_L - H_R = (E_R + pres_R)/rho_R + E_L = rho_L*E_L + 5d-1*rho_L*vel_L_rms + E_R = rho_R*E_R + 5d-1*rho_R*vel_R_rms + + H_L = T_L*(1 + gamma_L)*R_gas_L + 0.5d0*vel_L_rms + H_R = T_R*(1 + gamma_R)*R_gas_R + 0.5d0*vel_R_rms + #:endif + else + E_L = gamma_L*pres_L + pi_inf_L + 5d-1*rho_L*vel_L_rms + qv_L + E_R = gamma_R*pres_R + pi_inf_R + 5d-1*rho_R*vel_R_rms + qv_R + H_L = (E_L + pres_L)/rho_L + H_R = (E_R + pres_R)/rho_R + end if if (hypoelasticity) then !$acc loop seq diff --git a/src/simulation/m_start_up.fpp b/src/simulation/m_start_up.fpp index 6abf689e3b..0dd57ee14c 100644 --- a/src/simulation/m_start_up.fpp +++ b/src/simulation/m_start_up.fpp @@ -1048,7 +1048,7 @@ contains real(kind(0d0)) :: pi_inf real(kind(0d0)) :: qv real(kind(0d0)), dimension(2) :: Re - real(kind(0d0)) :: pres + real(kind(0d0)) :: pres, T integer :: i, j, k, l, c @@ -1073,7 +1073,7 @@ contains end if call s_compute_pressure(v_vf(E_idx)%sf(j, k, l), 0d0, & - dyn_pres, pi_inf, gamma, rho, qv, rhoYks, pres) + dyn_pres, pi_inf, gamma, rho, qv, rhoYks, pres, T) do i = 1, num_fluids v_vf(i + internalEnergies_idx%beg - 1)%sf(j, k, l) = v_vf(i + adv_idx%beg - 1)%sf(j, k, l)* & diff --git a/toolchain/mfc/run/case_dicts.py b/toolchain/mfc/run/case_dicts.py index db4e19fdd3..b01e0d3a46 100644 --- a/toolchain/mfc/run/case_dicts.py +++ b/toolchain/mfc/run/case_dicts.py @@ -289,7 +289,7 @@ def analytic(self): SIMULATION[f"integral({int_id})%{cmp}max"] = ParamType.REAL -# Removed: 'fourier_modes%beg', 'fourier_modes%end', 'chem_wrt_Y' +# Removed: 'fourier_modes%beg', 'fourier_modes%end'. # Feel free to return them if they are needed once more. POST_PROCESS = COMMON.copy() POST_PROCESS.update({ @@ -339,9 +339,9 @@ def analytic(self): for real_attr in ["mom_wrt", "vel_wrt", "flux_wrt", "omega_wrt"]: POST_PROCESS[f'{real_attr}({cmp_id})'] = ParamType.LOG -# NOTE: `chem_wrt_Y` is missing -# for cmp_id in range(100): -# POST_PROCESS.append(f'chem_wrt_Y({cmp_id})') +for cmp_id in range(100): + POST_PROCESS[f'chem_wrt_Y({cmp_id})'] = ParamType.LOG +POST_PROCESS['chem_wrt_T'] = ParamType.LOG for fl_id in range(1,10+1): for append, ty in [("schlieren_alpha", ParamType.REAL),