diff --git a/networks/He-C-Fe-group/He-C-Fe-group.png b/networks/He-C-Fe-group/He-C-Fe-group.png index 7b3f56e7df..3f36d9d7f6 100644 Binary files a/networks/He-C-Fe-group/He-C-Fe-group.png and b/networks/He-C-Fe-group/He-C-Fe-group.png differ diff --git a/networks/He-C-Fe-group/He-C-Fe-group.py b/networks/He-C-Fe-group/He-C-Fe-group.py index e4429b1d1a..dfa374d31f 100644 --- a/networks/He-C-Fe-group/He-C-Fe-group.py +++ b/networks/He-C-Fe-group/He-C-Fe-group.py @@ -95,15 +95,10 @@ d = pyna.DerivedRate(rate=fr, compute_Q=False, use_pf=True) all_lib.add_rate(d) -# combine all three libraries into a single network - -net = pyna.AmrexAstroCxxNetwork(libraries=[all_lib], - symmetric_screening=False) - # we will have duplicate rates -- we want to remove any ReacLib rates # that we have tabular rates for -dupes = net.find_duplicate_links() +dupes = all_lib.find_duplicate_links() rates_to_remove = [] for d in dupes: @@ -111,7 +106,14 @@ if isinstance(r, ReacLibRate): rates_to_remove.append(r) -net.remove_rates(rates_to_remove) +for r in rates_to_remove: + all_lib.remove_rate(r) + +# combine all three libraries into a single network + +net = pyna.AmrexAstroCxxNetwork(libraries=[all_lib], + symmetric_screening=False) + # now we approximate some (alpha, p)(p, gamma) links diff --git a/networks/He-C-Fe-group/actual_rhs.H b/networks/He-C-Fe-group/actual_rhs.H index 5c9cc6be3f..4cc72f83d7 100644 --- a/networks/He-C-Fe-group/actual_rhs.H +++ b/networks/He-C-Fe-group/actual_rhs.H @@ -1269,13 +1269,15 @@ void evaluate_rates(const burn_t& state, T& rate_eval) { [[maybe_unused]] Real rate, drate_dt, edot_nu, edot_gamma; + rate_eval.enuc_weak = 0.0; + tabular_evaluate(j_co55_fe55_meta, j_co55_fe55_rhoy, j_co55_fe55_temp, j_co55_fe55_data, rhoy, state.T, rate, drate_dt, edot_nu, edot_gamma); rate_eval.screened_rates(k_co55_to_fe55) = rate; if constexpr (std::is_same::value) { rate_eval.dscreened_rates_dT(k_co55_to_fe55) = drate_dt; } - rate_eval.add_energy_rate(k_co55_to_fe55) = edot_nu + edot_gamma; + rate_eval.enuc_weak += C::Legacy::n_A * Y(Co55) * (edot_nu + edot_gamma); tabular_evaluate(j_co56_fe56_meta, j_co56_fe56_rhoy, j_co56_fe56_temp, j_co56_fe56_data, rhoy, state.T, rate, drate_dt, edot_nu, edot_gamma); @@ -1283,7 +1285,7 @@ void evaluate_rates(const burn_t& state, T& rate_eval) { if constexpr (std::is_same::value) { rate_eval.dscreened_rates_dT(k_co56_to_fe56) = drate_dt; } - rate_eval.add_energy_rate(k_co56_to_fe56) = edot_nu + edot_gamma; + rate_eval.enuc_weak += C::Legacy::n_A * Y(Co56) * (edot_nu + edot_gamma); tabular_evaluate(j_co56_ni56_meta, j_co56_ni56_rhoy, j_co56_ni56_temp, j_co56_ni56_data, rhoy, state.T, rate, drate_dt, edot_nu, edot_gamma); @@ -1291,7 +1293,7 @@ void evaluate_rates(const burn_t& state, T& rate_eval) { if constexpr (std::is_same::value) { rate_eval.dscreened_rates_dT(k_co56_to_ni56) = drate_dt; } - rate_eval.add_energy_rate(k_co56_to_ni56) = edot_nu + edot_gamma; + rate_eval.enuc_weak += C::Legacy::n_A * Y(Co56) * (edot_nu + edot_gamma); tabular_evaluate(j_co57_ni57_meta, j_co57_ni57_rhoy, j_co57_ni57_temp, j_co57_ni57_data, rhoy, state.T, rate, drate_dt, edot_nu, edot_gamma); @@ -1299,7 +1301,7 @@ void evaluate_rates(const burn_t& state, T& rate_eval) { if constexpr (std::is_same::value) { rate_eval.dscreened_rates_dT(k_co57_to_ni57) = drate_dt; } - rate_eval.add_energy_rate(k_co57_to_ni57) = edot_nu + edot_gamma; + rate_eval.enuc_weak += C::Legacy::n_A * Y(Co57) * (edot_nu + edot_gamma); tabular_evaluate(j_fe55_co55_meta, j_fe55_co55_rhoy, j_fe55_co55_temp, j_fe55_co55_data, rhoy, state.T, rate, drate_dt, edot_nu, edot_gamma); @@ -1307,7 +1309,7 @@ void evaluate_rates(const burn_t& state, T& rate_eval) { if constexpr (std::is_same::value) { rate_eval.dscreened_rates_dT(k_fe55_to_co55) = drate_dt; } - rate_eval.add_energy_rate(k_fe55_to_co55) = edot_nu + edot_gamma; + rate_eval.enuc_weak += C::Legacy::n_A * Y(Fe55) * (edot_nu + edot_gamma); tabular_evaluate(j_fe55_mn55_meta, j_fe55_mn55_rhoy, j_fe55_mn55_temp, j_fe55_mn55_data, rhoy, state.T, rate, drate_dt, edot_nu, edot_gamma); @@ -1315,7 +1317,7 @@ void evaluate_rates(const burn_t& state, T& rate_eval) { if constexpr (std::is_same::value) { rate_eval.dscreened_rates_dT(k_fe55_to_mn55) = drate_dt; } - rate_eval.add_energy_rate(k_fe55_to_mn55) = edot_nu + edot_gamma; + rate_eval.enuc_weak += C::Legacy::n_A * Y(Fe55) * (edot_nu + edot_gamma); tabular_evaluate(j_fe56_co56_meta, j_fe56_co56_rhoy, j_fe56_co56_temp, j_fe56_co56_data, rhoy, state.T, rate, drate_dt, edot_nu, edot_gamma); @@ -1323,7 +1325,7 @@ void evaluate_rates(const burn_t& state, T& rate_eval) { if constexpr (std::is_same::value) { rate_eval.dscreened_rates_dT(k_fe56_to_co56) = drate_dt; } - rate_eval.add_energy_rate(k_fe56_to_co56) = edot_nu + edot_gamma; + rate_eval.enuc_weak += C::Legacy::n_A * Y(Fe56) * (edot_nu + edot_gamma); tabular_evaluate(j_mn55_fe55_meta, j_mn55_fe55_rhoy, j_mn55_fe55_temp, j_mn55_fe55_data, rhoy, state.T, rate, drate_dt, edot_nu, edot_gamma); @@ -1331,7 +1333,7 @@ void evaluate_rates(const burn_t& state, T& rate_eval) { if constexpr (std::is_same::value) { rate_eval.dscreened_rates_dT(k_mn55_to_fe55) = drate_dt; } - rate_eval.add_energy_rate(k_mn55_to_fe55) = edot_nu + edot_gamma; + rate_eval.enuc_weak += C::Legacy::n_A * Y(Mn55) * (edot_nu + edot_gamma); tabular_evaluate(j_ni56_co56_meta, j_ni56_co56_rhoy, j_ni56_co56_temp, j_ni56_co56_data, rhoy, state.T, rate, drate_dt, edot_nu, edot_gamma); @@ -1339,7 +1341,7 @@ void evaluate_rates(const burn_t& state, T& rate_eval) { if constexpr (std::is_same::value) { rate_eval.dscreened_rates_dT(k_ni56_to_co56) = drate_dt; } - rate_eval.add_energy_rate(k_ni56_to_co56) = edot_nu + edot_gamma; + rate_eval.enuc_weak += C::Legacy::n_A * Y(Ni56) * (edot_nu + edot_gamma); tabular_evaluate(j_ni57_co57_meta, j_ni57_co57_rhoy, j_ni57_co57_temp, j_ni57_co57_data, rhoy, state.T, rate, drate_dt, edot_nu, edot_gamma); @@ -1347,7 +1349,7 @@ void evaluate_rates(const burn_t& state, T& rate_eval) { if constexpr (std::is_same::value) { rate_eval.dscreened_rates_dT(k_ni57_to_co57) = drate_dt; } - rate_eval.add_energy_rate(k_ni57_to_co57) = edot_nu + edot_gamma; + rate_eval.enuc_weak += C::Legacy::n_A * Y(Ni57) * (edot_nu + edot_gamma); tabular_evaluate(j_n_p_meta, j_n_p_rhoy, j_n_p_temp, j_n_p_data, rhoy, state.T, rate, drate_dt, edot_nu, edot_gamma); @@ -1355,7 +1357,7 @@ void evaluate_rates(const burn_t& state, T& rate_eval) { if constexpr (std::is_same::value) { rate_eval.dscreened_rates_dT(k_n_to_p) = drate_dt; } - rate_eval.add_energy_rate(k_n_to_p) = edot_nu + edot_gamma; + rate_eval.enuc_weak += C::Legacy::n_A * Y(N) * (edot_nu + edot_gamma); tabular_evaluate(j_p_n_meta, j_p_n_rhoy, j_p_n_temp, j_p_n_data, rhoy, state.T, rate, drate_dt, edot_nu, edot_gamma); @@ -1363,7 +1365,7 @@ void evaluate_rates(const burn_t& state, T& rate_eval) { if constexpr (std::is_same::value) { rate_eval.dscreened_rates_dT(k_p_to_n) = drate_dt; } - rate_eval.add_energy_rate(k_p_to_n) = edot_nu + edot_gamma; + rate_eval.enuc_weak += C::Legacy::n_A * Y(H1) * (edot_nu + edot_gamma); } @@ -1724,6 +1726,7 @@ void actual_rhs (burn_t& state, Array1D& ydot) rate_t rate_eval; constexpr int do_T_derivatives = 0; + evaluate_rates(state, rate_eval); rhs_nuc(state, ydot, Y, rate_eval.screened_rates); @@ -1733,19 +1736,8 @@ void actual_rhs (burn_t& state, Array1D& ydot) Real enuc; ener_gener_rate(ydot, enuc); - // include reaction neutrino losses (non-thermal) and gamma heating - enuc += C::Legacy::n_A * Y(Co55) * rate_eval.add_energy_rate(k_co55_to_fe55); - enuc += C::Legacy::n_A * Y(Co56) * rate_eval.add_energy_rate(k_co56_to_fe56); - enuc += C::Legacy::n_A * Y(Co56) * rate_eval.add_energy_rate(k_co56_to_ni56); - enuc += C::Legacy::n_A * Y(Co57) * rate_eval.add_energy_rate(k_co57_to_ni57); - enuc += C::Legacy::n_A * Y(Fe55) * rate_eval.add_energy_rate(k_fe55_to_co55); - enuc += C::Legacy::n_A * Y(Fe55) * rate_eval.add_energy_rate(k_fe55_to_mn55); - enuc += C::Legacy::n_A * Y(Fe56) * rate_eval.add_energy_rate(k_fe56_to_co56); - enuc += C::Legacy::n_A * Y(Mn55) * rate_eval.add_energy_rate(k_mn55_to_fe55); - enuc += C::Legacy::n_A * Y(Ni56) * rate_eval.add_energy_rate(k_ni56_to_co56); - enuc += C::Legacy::n_A * Y(Ni57) * rate_eval.add_energy_rate(k_ni57_to_co57); - enuc += C::Legacy::n_A * Y(N) * rate_eval.add_energy_rate(k_n_to_p); - enuc += C::Legacy::n_A * Y(H1) * rate_eval.add_energy_rate(k_p_to_n); + // include any weak rate neutrino losses + enuc += rate_eval.enuc_weak; // Get the thermal neutrino losses @@ -2770,6 +2762,7 @@ void actual_jac(const burn_t& state, MatrixType& jac) rate_derivs_t rate_eval; constexpr int do_T_derivatives = 1; + evaluate_rates(state, rate_eval); // Species Jacobian elements with respect to other species diff --git a/networks/He-C-Fe-group/partition_functions.H b/networks/He-C-Fe-group/partition_functions.H index 8f250edf45..03c1db628a 100644 --- a/networks/He-C-Fe-group/partition_functions.H +++ b/networks/He-C-Fe-group/partition_functions.H @@ -44,10 +44,10 @@ namespace part_fun { 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.012837224705172217, - 0.037426497940623665, 0.07188200730612537, 0.12057393120584989, 0.1846914308175988, 0.2624510897304295, + 0.03742649794062367, 0.07188200730612536, 0.1205739312058499, 0.1846914308175988, 0.26245108973042947, 0.3463529744506387, 0.437750562820388, 0.534026106056135, 0.6344772701607315, 0.8981764834976765, 1.1760912590556813, 1.4668676203541096, 1.7641761323903307, 2.0644579892269186, 2.367355921026019, - 2.667452952889954, 2.9656719712201065, 3.2624510897304293, 3.5550944485783194, 3.845098040014257, + 2.667452952889954, 2.9656719712201065, 3.2624510897304293, 3.555094448578319, 3.845098040014257, 4.133538908370218, 4.419955748489758, 4.704150516839799, 4.986771734266245, 5.267171728403014, 5.547774705387822, 5.8267225201689925, 6.103803720955957, 6.380211241711606, 6.6551384348113825, 6.929929560084588, 7.204119982655925, 7.477121254719663, 7.748962861256161, 8.021189299069938, @@ -61,16 +61,16 @@ namespace part_fun { MICROPHYSICS_UNUSED HIP_CONSTEXPR static AMREX_GPU_MANAGED amrex::Real f18_pf_array[npts_1] = { 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, - 0.0, 0.0, 0.00860017176191757, 0.02530586526477026, 0.04921802267018165, - 0.08635983067474823, 0.12385164096708581, 0.1673173347481761, 0.20682587603184974, 0.28330122870354957, + 0.0, 0.0, 0.008600171761917567, 0.02530586526477026, 0.04921802267018165, + 0.08635983067474821, 0.12385164096708583, 0.16731733474817606, 0.20682587603184974, 0.28330122870354957, 0.35024801833416286, 0.4065401804339551, 0.45331834004703764, 0.4941545940184428, 0.6646419755561255, - 0.756636108245848, 0.8419848045901139, 0.9232440186302766, 1.0043213737826426, 1.08278537031645, + 0.756636108245848, 0.8419848045901139, 0.9232440186302765, 1.0043213737826426, 1.08278537031645, 1.1643528557844371, 1.250420002308894, 1.3384564936046048, 1.429752280002408, 1.6748611407378116, - 1.9405164849325673, 2.220108088040055, 2.505149978319906, 2.7930916001765804, 3.0827853703164503, + 1.9405164849325671, 2.220108088040055, 2.505149978319906, 2.79309160017658, 3.0827853703164503, 3.369215857410143, 3.6570558528571038, 3.9434945159061026, 4.230448921378274, 4.514547752660286, 4.800029359244134, 5.086359830674748, 5.371067862271737, 5.657055852857104, 5.94299959336604, 6.230448921378274, 6.515873843711679, 6.803457115648414, 7.089905111439398, 7.378397900948138, - 7.667452952889954, 7.956168430475364, 8.24551266781415, 8.534026106056135, 8.823474229170301, + 7.6674529528899535, 7.956168430475364, 8.24551266781415, 8.534026106056135, 8.823474229170301, 9.113943352306837, 9.403120521175818, 9.69460519893357, 9.984977126415494, 10.568201724066995, 11.152288344383056, 11.73798732633343, 12.324282455297693, 12.913813852383717, 13.503790683057181, 14.096910013008056, 15.584331224367531, @@ -81,37 +81,37 @@ namespace part_fun { MICROPHYSICS_UNUSED HIP_CONSTEXPR static AMREX_GPU_MANAGED amrex::Real ne20_pf_array[npts_1] = { 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, - 0.0, 6.9486561213582446e-06, 0.00016586881316040883, 0.0011034421778731533, 0.003892457497077877, - 0.009540974939696452, 0.018595240218299815, 0.03107544483336982, 0.04661767038571622, 0.0846241727916796, + 0.0, 6.948656121358244e-06, 0.00016586881316040883, 0.0011034421778731533, 0.003892457497077877, + 0.00954097493969645, 0.01859524021829981, 0.03107544483336982, 0.04661767038571622, 0.0846241727916796, 0.12822183093465686, 0.174311933665943, 0.22124805254602342, 0.2683385291343481, 0.36172783601759284, 0.456366033129043, 0.5514499979728752, 0.6483600109809317, 0.7466341989375788, 0.8481891169913987, 0.9532763366673044, 1.0644579892269186, 1.1789769472931695, 1.3031960574204888, 1.6434526764861874, 2.0170333392987803, 2.4099331233312946, 2.8068580295188172, 3.2013971243204513, 3.5899496013257077, 3.9731278535996988, 4.352182518111363, 4.725911632295048, 5.096910013008056, 5.465382851448418, - 5.830588668685144, 6.193124598354462, 6.556302500767288, 6.916980047320382, 7.276461804173244, - 7.6344772701607315, 7.991669007379949, 8.348304863048162, 8.703291378118662, 9.056904851336473, + 5.830588668685144, 6.193124598354461, 6.556302500767288, 6.916980047320382, 7.276461804173244, + 7.6344772701607315, 7.991669007379948, 8.34830486304816, 8.703291378118662, 9.056904851336473, 9.411619705963231, 9.763427993562937, 10.117271295655764, 10.46686762035411, 10.818225893613956, 11.170261715394957, 11.519827993775719, 11.869231719730976, 12.217483944213907, 12.916453948549925, - 13.61384182187607, 14.3096301674259, 15.004321373782643, 15.702430536445526, 16.399673721481037, + 13.613841821876068, 14.3096301674259, 15.004321373782643, 15.702430536445526, 16.399673721481037, 17.096910013008056, 18.838849090737256, }; // this is log10(partition function) MICROPHYSICS_UNUSED HIP_CONSTEXPR static AMREX_GPU_MANAGED amrex::Real ne21_pf_array[npts_1] = { - 0.0, 0.0, 0.0, 8.685880952436748e-07, 2.4754079983896385e-05, + 0.0, 0.0, 0.0, 8.685880952436747e-07, 2.4754079983896385e-05, 0.0001901793368385613, 0.0007372402163824667, 0.0019404293040471109, 0.0040039218205739505, 0.007021925578680666, - 0.010986057727319889, 0.04118891376750491, 0.07777221055393521, 0.11230632139519969, 0.14260436993417835, - 0.16888829052162924, 0.19197861038694297, 0.21269992944898236, 0.23172922294680387, 0.26667282493464145, + 0.010986057727319889, 0.04118891376750491, 0.0777722105539352, 0.11230632139519969, 0.14260436993417835, + 0.16888829052162926, 0.19197861038694294, 0.2126999294489824, 0.23172922294680384, 0.2666728249346414, 0.2996105757244402, 0.3321030146619489, 0.3650139334448046, 0.3988146649899236, 0.46982201597816303, - 0.5465426634781311, 0.6283889300503115, 0.7176705030022621, 0.8142475957319202, 0.9180303367848801, + 0.546542663478131, 0.6283889300503115, 0.7176705030022621, 0.8142475957319202, 0.9180303367848801, 1.0293837776852097, 1.14921911265538, 1.276461804173244, 1.4082399653118496, 1.760422483423212, 2.1271047983648077, 2.499687082618404, 2.870403905279027, 3.2380461031287955, 3.603144372620182, - 3.965671971220107, 4.326335860928752, 4.683947130751513, 5.041392685158225, 5.396199347095736, + 3.9656719712201065, 4.326335860928752, 4.683947130751513, 5.041392685158225, 5.396199347095736, 5.752048447819439, 6.107209969647869, 6.4623979978989565, 6.817565369559781, 7.173186268412274, 7.5276299008713385, 7.8819549713396, 8.23552844690755, 8.5910646070265, 8.944975908412047, 9.298853076409706, 9.653212513775344, 10.008600171761918, 10.361727836017593, 10.716837723299525, - 11.071882007306126, 11.424881636631067, 11.780317312140152, 12.133538908370218, 12.844477175745682, + 11.071882007306126, 11.424881636631067, 11.780317312140152, 12.133538908370218, 12.84447717574568, 13.55509444857832, 14.267171728403014, 14.979548374704095, 15.693726948923647, 16.40823996531185, 17.123851640967086, 18.923244018630278, }; @@ -120,9 +120,9 @@ namespace part_fun { MICROPHYSICS_UNUSED HIP_CONSTEXPR static AMREX_GPU_MANAGED amrex::Real na22_pf_array[npts_1] = { 0.0, 0.0, 0.0, 0.0, 0.0, - 4.342942647204277e-07, 2.605759074128604e-06, 1.3028639028478182e-05, 4.559852671908958e-05, 0.00011984873864003523, - 0.0002626687122755098, 0.002992810584370353, 0.010836979076306525, 0.02428653620880802, 0.04242704733870039, - 0.06402310268617777, 0.0879676561420024, 0.11338308526345185, 0.13961150376071624, 0.19275584832811388, + 4.342942647204277e-07, 2.605759074128604e-06, 1.3028639028478182e-05, 4.559852671908958e-05, 0.00011984873864003521, + 0.0002626687122755098, 0.0029928105843703536, 0.010836979076306525, 0.02428653620880802, 0.04242704733870039, + 0.06402310268617777, 0.08796765614200239, 0.11338308526345184, 0.13961150376071624, 0.19275584832811385, 0.2451455832343637, 0.2958922043442712, 0.3448263511644293, 0.39212883410565064, 0.48287358360875376, 0.5717088318086876, 0.6627578316815741, 0.756636108245848, 0.8561244442423004, 0.9633155113861113, 1.0791812460476249, 1.2013971243204515, 1.3283796034387378, 1.4638929889859074, 1.8215135284047732, @@ -131,7 +131,7 @@ namespace part_fun { 5.907411360774586, 6.27415784926368, 6.642464520242122, 7.008600171761918, 7.378397900948138, 7.746634198937579, 8.113943352306837, 8.482873583608754, 8.851258348719075, 9.220108088040055, 9.588831725594208, 9.957607287060096, 10.32633586092875, 10.695481676490198, 11.064457989226918, - 11.4345689040342, 11.80413943233535, 12.173186268412275, 12.544068044350276, 13.285557309007775, + 11.4345689040342, 11.80413943233535, 12.173186268412273, 12.544068044350276, 13.285557309007773, 14.02938377768521, 14.773054693364262, 15.518513939877888, 16.264817823009537, 17.012837224705173, 17.76492298464989, 19.64933485871214, }; @@ -139,12 +139,12 @@ namespace part_fun { // this is log10(partition function) MICROPHYSICS_UNUSED HIP_CONSTEXPR static AMREX_GPU_MANAGED amrex::Real na23_pf_array[npts_1] = { - 0.0, 0.0, 0.0, 0.0, 1.737174453219938e-06, - 2.3885539658322847e-05, 0.00013113713282427166, 0.0004423207528904243, 0.0010999766245234138, 0.002232173197636284, - 0.003929471989446119, 0.021128907257497758, 0.0479649055541949, 0.07726249885377773, 0.10525805048344758, - 0.13079227003361293, 0.15390201926318714, 0.17503899265296466, 0.1947232524871551, 0.23147162936712468, + 0.0, 0.0, 0.0, 0.0, 1.7371744532199383e-06, + 2.3885539658322847e-05, 0.00013113713282427166, 0.0004423207528904243, 0.0010999766245234136, 0.002232173197636284, + 0.003929471989446119, 0.021128907257497758, 0.0479649055541949, 0.07726249885377771, 0.10525805048344757, + 0.13079227003361296, 0.15390201926318714, 0.17503899265296466, 0.19472325248715508, 0.23147162936712465, 0.26668504599022796, 0.3016913566252569, 0.33713446730536967, 0.37335950050705796, 0.4487063199050799, - 0.5314789170422551, 0.6211762817750351, 0.7218106152125465, 0.8344207036815325, 0.9590413923210936, + 0.5314789170422551, 0.6211762817750351, 0.7218106152125465, 0.8344207036815325, 0.9590413923210935, 1.0934216851622351, 1.2405492482825997, 1.3926969532596658, 1.5514499979728753, 1.9628426812012425, 2.383815365980431, 2.803457115648414, 3.220108088040055, 3.6344772701607315, 4.045322978786658, 4.453318340047038, 4.857935264719429, 5.26245108973043, 5.664641975556125, 6.064457989226918, @@ -161,37 +161,37 @@ namespace part_fun { MICROPHYSICS_UNUSED HIP_CONSTEXPR static AMREX_GPU_MANAGED amrex::Real mg24_pf_array[npts_1] = { 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, - 4.342942647204277e-07, 5.471765757979972e-05, 0.0007714899373308072, 0.0037633124724497638, 0.010764115210255058, - 0.022625058328435314, 0.039160607597355665, 0.05951911533271758, 0.08262238957783377, 0.13324118689139802, + 4.342942647204277e-07, 5.471765757979972e-05, 0.0007714899373308071, 0.0037633124724497633, 0.010764115210255056, + 0.022625058328435317, 0.039160607597355665, 0.05951911533271758, 0.08262238957783377, 0.13324118689139802, 0.185518640557017, 0.2370005304649223, 0.2870228837145503, 0.3357157930198095, 0.43136376415898736, - 0.5263392773898441, 0.6253124509616739, 0.7307822756663892, 0.8463371121298052, 0.974971994298069, + 0.5263392773898441, 0.6253124509616739, 0.7307822756663892, 0.8463371121298052, 0.9749719942980689, 1.1172712956557642, 1.2741578492636798, 1.4424797690644486, 1.6232492903979006, 2.103803720955957, - 2.598790506763115, 3.089905111439398, 3.5774917998372255, 4.05307844348342, 4.52244423350632, - 4.984527313343793, 5.440909082065218, 5.894869656745253, 6.344392273685111, 6.791690649020118, - 7.235528446907549, 7.678518379040114, 8.12057393120585, 8.558708570533165, 8.99563519459755, - 9.431363764158988, 9.866287339084195, 10.301029995663981, 10.732393759822969, 11.164352855784438, + 2.598790506763115, 3.089905111439398, 3.577491799837225, 4.05307844348342, 4.52244423350632, + 4.984527313343793, 5.440909082065217, 5.894869656745253, 6.344392273685111, 6.791690649020118, + 7.235528446907549, 7.6785183790401135, 8.12057393120585, 8.558708570533165, 8.99563519459755, + 9.431363764158988, 9.866287339084195, 10.301029995663981, 10.732393759822969, 11.164352855784436, 11.594392550375426, 12.02530586526477, 12.453318340047037, 12.881384656770573, 13.3096301674259, 13.736396502276643, 14.161368002234974, 14.588831725594208, 15.012837224705173, 15.86569605991607, 16.715167357848458, 17.56466606425209, 18.413299764081252, 19.26245108973043, 20.113943352306837, - 20.96284268120124, 23.0899051114394, + 20.96284268120124, 23.089905111439396, }; // this is log10(partition function) MICROPHYSICS_UNUSED HIP_CONSTEXPR static AMREX_GPU_MANAGED amrex::Real al27_pf_array[npts_1] = { 0.0, 0.0, 0.0, 0.0, 0.0, - 0.0, 0.0, 0.0, 8.685880952436748e-07, 3.4743419578801875e-06, - 1.0422942490878872e-05, 0.00032429686817590634, 0.0018833542475028369, 0.005477808032249925, 0.011239204769804157, - 0.018904286378932662, 0.028126564553716336, 0.03862016194970278, 0.05018673657450416, 0.07608019569340023, - 0.10530099179798433, 0.13774106877747655, 0.1734986149135784, 0.2127888058397363, 0.30319605742048883, + 0.0, 0.0, 0.0, 8.685880952436747e-07, 3.4743419578801875e-06, + 1.0422942490878872e-05, 0.00032429686817590634, 0.0018833542475028369, 0.005477808032249925, 0.011239204769804155, + 0.01890428637893266, 0.028126564553716336, 0.03862016194970278, 0.05018673657450416, 0.07608019569340022, + 0.10530099179798431, 0.13774106877747655, 0.1734986149135784, 0.21278880583973628, 0.30319605742048883, 0.4099331233312945, 0.5352941200427705, 0.6794278966121189, 0.8394780473741984, 1.0128372247051722, 1.1958996524092338, 1.3873898263387294, 1.5843312243675307, 1.783903579272735, 2.287801729930226, 2.7944880466591697, 3.296665190261531, 3.7944880466591697, 4.2878017299302265, 4.779596491257824, 5.269512944217916, 5.7558748556724915, 6.2405492482825995, 6.725094521081469, 7.209515014542631, 7.691081492122969, 8.173186268412275, 8.653212513775344, 9.133538908370218, 9.611723308007342, 10.089905111439398, 10.568201724066995, 11.045322978786658, 11.521138083704036, 11.997386384397313, - 12.472756449317213, 12.947923619831727, 13.423245873936809, 13.89707700320942, 14.371067862271737, - 14.845098040014257, 15.320146286111054, 15.79309160017658, 16.267171728403014, 17.2148438480477, + 12.472756449317213, 12.947923619831727, 13.423245873936807, 13.89707700320942, 14.371067862271737, + 14.845098040014257, 15.320146286111054, 15.79309160017658, 16.267171728403014, 17.214843848047696, 18.161368002234976, 19.110589710299248, 20.060697840353612, 21.012837224705173, 21.96284268120124, 22.915927211697117, 25.305351369446623, }; @@ -201,18 +201,18 @@ namespace part_fun { MICROPHYSICS_UNUSED HIP_CONSTEXPR static AMREX_GPU_MANAGED amrex::Real si28_pf_array[npts_1] = { 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, - 0.0, 2.1714669808675565e-06, 7.121845527843468e-05, 0.0005624812393818786, 0.002223099674110693, - 0.0059171580771474625, 0.01228240711882553, 0.021577095617092278, 0.03370716078346824, 0.06502557053071237, - 0.10275227725738852, 0.14387160800291654, 0.18660350439861528, 0.2302807913268337, 0.3222192947339193, - 0.42324587393680785, 0.541579243946581, 0.6839471307515121, 0.8518696007297664, 1.0413926851582251, - 1.250420002308894, 1.4727564493172123, 1.7024305364455252, 1.9375178920173466, 2.5314789170422554, + 0.0, 2.1714669808675565e-06, 7.12184552784347e-05, 0.0005624812393818785, 0.002223099674110693, + 0.0059171580771474625, 0.012282407118825528, 0.02157709561709228, 0.03370716078346824, 0.06502557053071237, + 0.1027522772573885, 0.14387160800291654, 0.1866035043986153, 0.2302807913268337, 0.3222192947339193, + 0.42324587393680785, 0.541579243946581, 0.6839471307515121, 0.8518696007297664, 1.041392685158225, + 1.250420002308894, 1.4727564493172123, 1.7024305364455252, 1.9375178920173466, 2.531478917042255, 3.12057393120585, 3.7024305364455254, 4.271841606536499, 4.834420703681532, 5.389166084364533, 5.937517892017347, 6.481442628502305, 7.021189299069938, 7.557507201905658, 8.089905111439398, 8.622214022966295, 9.14921911265538, 9.675778341674086, 10.198657086954423, 10.721810615212547, 11.2405492482826, 11.75966784468963, 12.276461804173245, 12.791690649020119, 13.305351369446624, - 13.818225893613956, 14.330413773349191, 14.840733234611807, 15.350248018334163, 15.859138297294532, + 13.818225893613956, 14.330413773349191, 14.840733234611807, 15.350248018334163, 15.85913829729453, 16.367355921026018, 16.8750612633917, 17.38201704257487, 17.88874096068289, 18.90036712865647, - 19.911157608739977, 20.92116605063774, 21.9304395947667, 22.93951925261862, 23.948901760970212, + 19.911157608739977, 20.921166050637737, 21.9304395947667, 22.93951925261862, 23.948901760970212, 24.958563883221967, 27.48572142648158, }; @@ -221,16 +221,16 @@ namespace part_fun { MICROPHYSICS_UNUSED HIP_CONSTEXPR static AMREX_GPU_MANAGED amrex::Real p31_pf_array[npts_1] = { 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, - 4.342942647204277e-07, 4.820401221806151e-05, 0.0005624812393818786, 0.002468018295084159, 0.006670091319158333, - 0.013688955408210907, 0.023674199668938998, 0.0365510506801258, 0.05215275629691827, 0.09085986215557587, - 0.13887811232360858, 0.19608052467040615, 0.2628929908553992, 0.33982852740425823, 0.5237464668115644, - 0.7419390777291989, 0.9827233876685454, 1.235528446907549, 1.4899584794248346, 1.7442929831226763, + 4.342942647204277e-07, 4.820401221806151e-05, 0.0005624812393818785, 0.002468018295084159, 0.006670091319158333, + 0.013688955408210905, 0.023674199668938998, 0.03655105068012579, 0.05215275629691826, 0.09085986215557586, + 0.13887811232360858, 0.19608052467040618, 0.26289299085539924, 0.33982852740425823, 0.5237464668115644, + 0.7419390777291989, 0.9827233876685453, 1.235528446907549, 1.4899584794248346, 1.7442929831226763, 1.9960736544852753, 2.24551266781415, 2.4913616938342726, 2.733999286538387, 3.330413773349191, 3.9132839017604186, 4.48572142648158, 5.049218022670182, 5.608526033577194, 6.164352855784437, 6.714329759745233, 7.264817823009537, 7.812913356642856, 8.359835482339887, 8.90687353472207, 9.453318340047037, 9.997823080745725, 10.54282542695918, 11.086359830674748, 11.629409599102718, 12.170261715394957, 12.712649701627212, 13.255272505103306, 13.79448804665917, 14.334453751150932, - 14.874481817699467, 15.414973347970818, 15.953276336667304, 16.492760389026838, 17.02938377768521, + 14.874481817699467, 15.414973347970818, 15.953276336667304, 16.492760389026838, 17.029383777685208, 17.570542939881896, 18.10720996964787, 18.64738297011462, 19.187520720836464, 20.264817823009537, 21.342422680822207, 22.42160392686983, 23.503790683057183, 24.5854607295085, 25.66931688056611, 26.75511226639507, 29.477121254719663, @@ -241,13 +241,13 @@ namespace part_fun { MICROPHYSICS_UNUSED HIP_CONSTEXPR static AMREX_GPU_MANAGED amrex::Real s32_pf_array[npts_1] = { 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, - 0.0, 0.0, 5.211502513843472e-06, 6.948155872801058e-05, 0.0003893875360542875, - 0.001336870159627728, 0.003378232401258555, 0.00696337755678715, 0.012456734172197398, 0.030114157908450765, - 0.05748428585387722, 0.0950053699501746, 0.14295136988131382, 0.20165707691270435, 0.3521825181113625, + 0.0, 0.0, 5.211502513843472e-06, 6.948155872801059e-05, 0.0003893875360542875, + 0.001336870159627728, 0.003378232401258555, 0.006963377556787149, 0.012456734172197398, 0.03011415790845077, + 0.057484285853877215, 0.0950053699501746, 0.14295136988131382, 0.20165707691270435, 0.3521825181113625, 0.5502283530550941, 0.787460474518415, 1.0569048513364727, 1.3404441148401183, 1.631443769013172, 1.92272545799326, 2.2121876044039577, 2.4955443375464483, 2.7737864449811935, 3.44870631990508, 4.096910013008056, 4.726727209026572, 5.3404441148401185, 5.944975908412048, 6.541579243946581, - 7.133538908370218, 7.720985744153739, 8.305351369446624, 8.888740960682894, 9.469822015978163, + 7.133538908370218, 7.720985744153739, 8.305351369446624, 8.888740960682892, 9.469822015978163, 10.049218022670182, 10.628388930050312, 11.20682587603185, 11.78175537465247, 12.356025857193123, 12.9304395947667, 13.502427119984432, 14.075546961392531, 14.645422269349092, 15.214843848047698, 15.783903579272735, 16.352182518111363, 16.920123326290724, 17.487138375477187, 18.053078443483418, @@ -262,17 +262,17 @@ namespace part_fun { 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.8239985202970884e-05, 0.00020710907627919203, 0.0009431313908907785, 0.002698987769012708, - 0.005906875936599731, 0.010907713111778477, 0.017957319425972694, 0.02725376696259042, 0.0532486689285615, + 0.005906875936599731, 0.010907713111778477, 0.017957319425972694, 0.027253766962590423, 0.0532486689285615, 0.09021853774459236, 0.13964204799692437, 0.20296975189964023, 0.28111453407611076, 0.48000694295715063, - 0.7234556720351858, 0.9934362304976118, 1.2741578492636798, 1.5587085705331658, 1.841984804590114, + 0.7234556720351858, 0.9934362304976116, 1.2741578492636798, 1.5587085705331658, 1.841984804590114, 2.123851640967086, 2.401400540781544, 2.678518379040114, 2.951823035315912, 3.6263403673750423, - 4.2878017299302265, 4.942008053022313, 5.588831725594208, 6.230448921378274, 6.870988813760575, + 4.2878017299302265, 4.942008053022313, 5.588831725594207, 6.230448921378274, 6.870988813760575, 7.509202522331103, 8.146128035678238, 8.781036938621131, 9.414973347970818, 10.049218022670182, 10.681241237375588, 11.313867220369154, 11.943988875073773, 12.574031267727719, 13.204119982655925, 13.831229693867064, 14.457881896733992, 15.086359830674748, 15.710963118995275, 16.33645973384853, 16.96189547366785, 17.586587304671756, 18.212187604403958, 18.835056101720117, 19.45939248775923, - 20.08278537031645, 20.705863712283918, 21.330413773349193, 21.95375969173323, 23.20139712432045, - 24.450249108319362, 25.699837725867248, 26.950364854376122, 28.20139712432045, 29.456366033129044, + 20.08278537031645, 20.705863712283918, 21.33041377334919, 21.95375969173323, 23.20139712432045, + 24.450249108319362, 25.699837725867244, 26.950364854376122, 28.20139712432045, 29.456366033129044, 30.71264970162721, 33.862131379313034, }; @@ -281,16 +281,16 @@ namespace part_fun { MICROPHYSICS_UNUSED HIP_CONSTEXPR static AMREX_GPU_MANAGED amrex::Real ar36_pf_array[npts_1] = { 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, - 0.0, 4.342942647204277e-07, 2.3451268844214655e-05, 0.00023141729162330256, 0.0010622869460975197, - 0.0031540913067783544, 0.007135153007315867, 0.013474284663478431, 0.02245187936733961, 0.048771089883939175, - 0.08643600351808535, 0.13560900039779808, 0.1965840257248699, 0.2696980636423851, 0.45331834004703764, + 0.0, 4.342942647204277e-07, 2.3451268844214655e-05, 0.00023141729162330258, 0.0010622869460975197, + 0.0031540913067783544, 0.007135153007315866, 0.013474284663478431, 0.02245187936733961, 0.048771089883939175, + 0.08643600351808534, 0.13560900039779808, 0.1965840257248699, 0.2696980636423851, 0.45331834004703764, 0.6848453616444125, 0.9585638832219674, 1.2624510897304295, 1.5809249756756194, 1.9057958803678685, 2.230448921378274, 2.550228353055094, 2.8662873390841948, 3.1760912590556813, 3.929418925714293, 4.657055852857104, 5.365487984890899, 6.060697840353612, 6.746634198937579, 7.426511261364575, 8.100370545117563, 8.773054693364262, 9.442479769064448, 10.11058971029925, 10.77451696572855, - 11.437750562820389, 12.100370545117563, 12.758911892397974, 13.41664050733828, 14.071882007306126, + 11.437750562820387, 12.100370545117563, 12.758911892397974, 13.41664050733828, 14.071882007306126, 14.727541257028557, 15.38201704257487, 16.03342375548695, 16.684845361644413, 17.33445375115093, - 17.983626287124533, 18.63144376901317, 19.27875360095283, 19.925827574624744, 20.57170883180869, + 17.983626287124533, 18.63144376901317, 19.27875360095283, 19.92582757462474, 20.57170883180869, 21.217483944213907, 21.863322860120455, 22.50785587169583, 23.152288344383056, 24.440909082065218, 25.72916478969277, 27.01703333929878, 28.305351369446623, 29.595496221825574, 30.885926339801433, 32.17897694729317, 35.41329976408125, @@ -302,15 +302,15 @@ namespace part_fun { 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.908632748276029e-06, 3.4307908925770636e-05, - 0.000162829902014903, 0.0005394928156396339, 0.0014074368520356395, 0.0031075244141559894, 0.010846721573671135, - 0.028297088943748085, 0.060956829214686044, 0.11414775667614005, 0.1912997955319451, 0.4132997640812518, - 0.7015679850559274, 1.0170333392987805, 1.3384564936046048, 1.6599162000698502, 1.9772662124272926, + 0.00016282990201490303, 0.0005394928156396339, 0.0014074368520356395, 0.0031075244141559894, 0.010846721573671135, + 0.028297088943748088, 0.06095682921468604, 0.11414775667614005, 0.1912997955319451, 0.4132997640812518, + 0.7015679850559274, 1.0170333392987803, 1.3384564936046048, 1.6599162000698502, 1.9772662124272926, 2.292256071356476, 2.6020599913279625, 2.910090545594068, 3.214843848047698, 3.9684829485539352, - 4.710963118995275, 5.444044795918076, 6.173186268412274, 6.897627091290442, 7.619093330626743, + 4.710963118995275, 5.444044795918076, 6.173186268412274, 6.897627091290442, 7.619093330626742, 8.338456493604605, 9.056904851336473, 9.771587480881255, 10.48572142648158, 11.198657086954423, 11.907948521612273, 12.6170003411209, 13.324282455297693, 14.02938377768521, 14.733999286538387, - 15.437750562820389, 16.139879086401237, 16.8394780473742, 17.539076098792776, 18.238046103128795, - 18.936513742478894, 19.633468455579585, 20.330413773349193, 21.02530586526477, 21.723455672035186, + 15.437750562820389, 16.139879086401237, 16.839478047374197, 17.539076098792776, 18.238046103128795, + 18.936513742478894, 19.633468455579585, 20.33041377334919, 21.02530586526477, 21.723455672035186, 22.418301291319747, 23.113943352306837, 23.809559714635267, 24.505149978319906, 25.89542254603941, 27.285557309007775, 28.678518379040113, 30.071882007306126, 31.465382851448418, 32.860936620700095, 34.25767857486918, 37.761927838420526, @@ -322,8 +322,8 @@ namespace part_fun { 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.4743419578801875e-06, - 2.605688721537332e-05, 0.00012419046343446514, 0.0004254001802063995, 0.0011532564515138494, 0.005324252203746658, - 0.016451245325404366, 0.03938040551055626, 0.0790998081972309, 0.13972800117379408, 0.33041377334919086, + 2.6056887215373325e-05, 0.00012419046343446514, 0.0004254001802063995, 0.0011532564515138494, 0.005324252203746658, + 0.016451245325404363, 0.03938040551055626, 0.07909980819723089, 0.13972800117379408, 0.33041377334919086, 0.6063813651106049, 0.9385197251764918, 1.2988530764097066, 1.6693168805661123, 2.037426497940624, 2.403120521175818, 2.761927838420529, 3.113943352306837, 3.459392487759231, 4.301029995663981, 5.117271295655764, 5.9148718175400505, 6.701567985055927, 7.478566495593843, 8.250420002308894, @@ -339,34 +339,34 @@ namespace part_fun { // this is log10(partition function) MICROPHYSICS_UNUSED HIP_CONSTEXPR static AMREX_GPU_MANAGED amrex::Real sc43_pf_array[npts_1] = { - 0.0, 1.737174453219938e-06, 3.213660262116793e-05, 0.0006088881229004689, 0.002639422351216832, - 0.006348788305828209, 0.011375876688411649, 0.017242084547645732, 0.02355944464942603, 0.03006796257543875, - 0.03661053325876141, 0.06810122175372876, 0.09804672309111767, 0.12848424511267922, 0.16058766813472455, - 0.1946644458530261, 0.23055748142930874, 0.2679262754358927, 0.3064134462100847, 0.3856843680943845, + 0.0, 1.7371744532199383e-06, 3.2136602621167924e-05, 0.0006088881229004689, 0.0026394223512168323, + 0.006348788305828209, 0.011375876688411647, 0.017242084547645732, 0.02355944464942603, 0.03006796257543875, + 0.03661053325876141, 0.06810122175372875, 0.09804672309111766, 0.12848424511267922, 0.16058766813472455, + 0.1946644458530261, 0.23055748142930874, 0.26792627543589265, 0.3064134462100847, 0.3856843680943845, 0.4672642331672854, 0.5514418243762168, 0.6393550853495756, 0.732465412501299, 0.9380190974762103, 1.1760912590556813, 1.4456042032735976, 1.7371926427047373, 2.0453229787866576, 2.359835482339888, 2.678518379040114, 3.0, 3.322219294733919, 3.6424645202421213, 4.439332693830263, 5.230448921378274, 6.017033339298781, 6.8020892578817325, 7.585460729508501, 8.36735592102602, 9.14921911265538, 9.929418925714293, 10.710117365111817, 11.489958479424836, 12.267171728403014, 13.045322978786658, 13.822168079368018, 14.597695185925513, 15.371067862271737, 16.146128035678238, - 16.916453948549925, 17.687528961214635, 18.457881896733994, 19.227886704613674, 19.99694924849538, + 16.916453948549925, 17.687528961214635, 18.45788189673399, 19.227886704613674, 19.99694924849538, 20.76492298464989, 21.532754378992497, 22.30102999566398, 23.068185861746162, 23.835690571492425, 24.602059991327963, 25.369215857410143, 26.136720567156406, 26.903632516084237, 28.439332693830263, 29.97497199429807, 31.511883360978874, 33.05307844348342, 34.59217675739587, 36.13672056715641, - 37.682145076373835, 41.55870857053316, + 37.68214507637383, 41.55870857053316, }; // this is log10(partition function) MICROPHYSICS_UNUSED HIP_CONSTEXPR static AMREX_GPU_MANAGED amrex::Real ti44_pf_array[npts_1] = { 0.0, 0.0, 0.0, 0.0, 0.0, - 0.0, 0.0, 0.0, 4.342942647204277e-07, 1.737174453219938e-06, - 7.382943437485088e-06, 0.0004987179011085028, 0.004043078170724821, 0.014135215027787822, 0.032426549056877405, - 0.058561151016688254, 0.09131586357749837, 0.1294359425571275, 0.17190802974603506, 0.2667731684215763, + 0.0, 0.0, 0.0, 4.342942647204277e-07, 1.7371744532199383e-06, + 7.382943437485089e-06, 0.0004987179011085028, 0.004043078170724821, 0.01413521502778782, 0.032426549056877405, + 0.05856115101668825, 0.09131586357749837, 0.1294359425571275, 0.17190802974603506, 0.2667731684215763, 0.37035022176288673, 0.47788465213962983, 0.5860935485551829, 0.693748838923791, 0.9116901587538612, - 1.1522883443830565, 1.4409090820652177, 1.7788744720027396, 2.1522883443830567, 2.5415792439465807, + 1.1522883443830565, 1.4409090820652177, 1.7788744720027396, 2.1522883443830563, 2.5415792439465807, 2.9334872878487053, 3.322219294733919, 3.7041505168397992, 4.079181246047625, 4.996073654485276, - 5.885361220031512, 6.757396028793024, 7.619093330626743, 8.472756449317213, 9.32221929473392, + 5.885361220031512, 6.757396028793024, 7.619093330626742, 8.472756449317213, 9.32221929473392, 10.167317334748176, 11.008600171761918, 11.85003325768977, 12.687528961214634, 13.52244423350632, 14.354108439147401, 15.1846914308176, 16.012837224705173, 16.836956737059552, 17.65991620006985, 18.481442628502304, 19.298853076409706, 20.117271295655765, 20.9329808219232, 21.746634198937578, @@ -379,15 +379,15 @@ namespace part_fun { // this is log10(partition function) MICROPHYSICS_UNUSED HIP_CONSTEXPR static AMREX_GPU_MANAGED amrex::Real v47_pf_array[npts_1] = { - 2.518834949526704e-05, 0.0007584840322833456, 0.004226764680268442, 0.024475815916759104, 0.05998274311239668, - 0.1028026649155908, 0.14672973694476377, 0.18852098344730983, 0.22688178294786615, 0.2615226538586488, - 0.29260868165003595, 0.40714096450521564, 0.48021742410342627, 0.5329079468954852, 0.5750746363992424, + 2.518834949526704e-05, 0.0007584840322833457, 0.004226764680268442, 0.024475815916759104, 0.05998274311239668, + 0.10280266491559079, 0.14672973694476377, 0.1885209834473098, 0.22688178294786615, 0.2615226538586488, + 0.29260868165003595, 0.4071409645052156, 0.48021742410342627, 0.5329079468954852, 0.5750746363992424, 0.6115960803783954, 0.6450760714077263, 0.6770396273057074, 0.708482088001612, 0.7725618227871047, 0.8417322779915452, 0.9194240819892174, 1.0083997539725875, 1.110602503281611, 1.3560258571931227, 1.651278013998144, 1.9813655090785445, 2.330413773349191, 2.6884198220027105, 3.0492180226701815, 3.41161970596323, 3.7708520116421442, 4.127104798364807, 4.484299839346786, 5.365487984890899, 6.238046103128795, 7.103803720955957, 7.967547976218862, 8.830588668685145, 9.69460519893357, - 10.557507201905658, 11.421603926869832, 12.285557309007775, 13.146128035678238, 14.008600171761918, + 10.557507201905658, 11.421603926869832, 12.285557309007773, 13.146128035678238, 14.008600171761918, 14.869231719730976, 15.728353782021228, 16.586587304671756, 17.442479769064448, 18.298853076409706, 19.152288344383056, 20.00432137378264, 20.85793526471943, 21.70926996097583, 22.559906625036113, 23.409933123331296, 24.260071387985075, 25.10720996964787, 25.956648579205204, 26.804820678721164, @@ -400,37 +400,37 @@ namespace part_fun { MICROPHYSICS_UNUSED HIP_CONSTEXPR static AMREX_GPU_MANAGED amrex::Real cr48_pf_array[npts_1] = { 0.0, 0.0, 0.0, 0.0, 0.0, - 0.0, 8.685880952436748e-07, 8.251516766996927e-06, 3.951899976600419e-05, 0.00013330794422173613, - 0.00035120219371925006, 0.006401856055765156, 0.02685304570895992, 0.0621531182513584, 0.10696594975266843, - 0.15598699109465683, 0.205815844445829, 0.25471214514215257, 0.30198352738731143, 0.39152612205819926, - 0.4764059620390526, 0.5602400543128645, 0.6474755901642433, 0.7433846322638775, 0.983175072037813, - 1.3096301674258988, 1.7067177823367587, 2.1398790864012365, 2.5774917998372255, 3.012837224705172, - 3.437750562820388, 3.854913022307856, 4.264817823009537, 4.666517980554881, 5.648360010980932, + 0.0, 8.685880952436747e-07, 8.251516766996927e-06, 3.951899976600419e-05, 0.00013330794422173613, + 0.00035120219371925, 0.006401856055765157, 0.02685304570895992, 0.06215311825135839, 0.10696594975266842, + 0.15598699109465686, 0.205815844445829, 0.25471214514215257, 0.30198352738731143, 0.39152612205819926, + 0.47640596203905256, 0.5602400543128645, 0.6474755901642433, 0.7433846322638775, 0.983175072037813, + 1.3096301674258988, 1.7067177823367587, 2.1398790864012365, 2.577491799837225, 3.012837224705172, + 3.437750562820388, 3.8549130223078554, 4.264817823009537, 4.666517980554881, 5.648360010980932, 6.606381365110605, 7.550228353055094, 8.484299839346786, 9.414973347970818, 10.340444114840118, 11.264817823009537, 12.1846914308176, 13.103803720955957, 14.021189299069938, 14.935003151453655, 15.846337112129806, 16.75511226639507, 17.66181268553726, 18.565847818673518, 19.468347330412158, 20.369215857410143, 21.267171728403014, 22.161368002234976, 23.056904851336473, 23.94939000664491, 24.840733234611807, 25.73078227566639, 26.619093330626743, 27.50785587169583, 28.394451680826215, 29.281033367247726, 30.164352855784436, 31.049218022670182, 31.934498451243567, 33.70156798505593, - 35.46834733041216, 37.23299611039216, 38.99913054128737, 40.764922984649886, 42.5327543789925, + 35.46834733041216, 37.23299611039215, 38.99913054128737, 40.764922984649886, 42.5327543789925, 44.30102999566398, 48.727541257028555, }; // this is log10(partition function) MICROPHYSICS_UNUSED HIP_CONSTEXPR static AMREX_GPU_MANAGED amrex::Real mn51_pf_array[npts_1] = { - 0.0, 0.0, 4.342942647204277e-07, 6.0362737871404116e-05, 0.0005954436481690332, - 0.002352703452491265, 0.0058636025937444025, 0.011219737158250307, 0.018191443590229183, 0.02640577650122878, - 0.035473365577059296, 0.08393991903492294, 0.12694077261184436, 0.1626799839654217, 0.19356340377635362, - 0.22185561141496235, 0.24912127857304392, 0.27638918590325057, 0.30436276263857276, 0.36442247019537943, - 0.4326074417788097, 0.5117005179251304, 0.6041057952026397, 0.7115562776994953, 0.9717395908877783, + 0.0, 0.0, 4.342942647204277e-07, 6.0362737871404116e-05, 0.0005954436481690331, + 0.002352703452491265, 0.0058636025937444025, 0.011219737158250306, 0.018191443590229183, 0.026405776501228783, + 0.035473365577059296, 0.08393991903492294, 0.12694077261184436, 0.16267998396542166, 0.19356340377635362, + 0.22185561141496238, 0.2491212785730439, 0.27638918590325057, 0.30436276263857276, 0.36442247019537943, + 0.4326074417788097, 0.5117005179251304, 0.6041057952026397, 0.7115562776994953, 0.9717395908877782, 1.287801729930226, 1.640481436970422, 2.0170333392987803, 2.403120521175818, 2.7944880466591697, 3.1903316981702914, 3.5854607295085006, 3.9827233876685453, 4.380211241711606, 5.372912002970106, 6.363611979892144, 7.354108439147401, 8.342422680822207, 9.328379603438737, 10.311753861055754, 11.292256071356476, 12.269512944217917, 13.24551266781415, 14.214843848047698, 15.1846914308176, - 16.14921911265538, 17.110589710299248, 18.071882007306126, 19.02938377768521, 19.985426474083003, - 20.93851972517649, 21.88986172125819, 22.8394780473742, 23.787460474518415, 24.73399928653839, - 25.67942789661212, 26.6232492903979, 27.56702636615906, 28.509202522331105, 29.45178643552429, + 16.14921911265538, 17.110589710299248, 18.071882007306126, 19.029383777685208, 19.985426474083003, + 20.93851972517649, 21.88986172125819, 22.839478047374197, 23.787460474518415, 24.73399928653839, + 25.67942789661212, 26.6232492903979, 27.56702636615906, 28.5092025223311, 29.45178643552429, 30.392696953259666, 31.33445375115093, 32.27415784926368, 33.2148438480477, 35.093421685162234, 36.97451169273733, 38.8555191556678, 40.737192642704734, 42.620136054973756, 44.505149978319906, 46.392696953259666, 51.12057393120585, @@ -439,19 +439,19 @@ namespace part_fun { // this is log10(partition function) MICROPHYSICS_UNUSED HIP_CONSTEXPR static AMREX_GPU_MANAGED amrex::Real mn55_pf_array[npts_1] = { - 4.342942647204277e-07, 3.387364853334388e-05, 0.00038895363056868775, 0.004419831370155498, 0.014756522503960728, - 0.030096733930175056, 0.047968794370789686, 0.06646457923244158, 0.08445866292767419, 0.10139372238408119, - 0.1170521039752435, 0.17736880968990507, 0.21735574261917232, 0.24746162628614302, 0.27333907966395066, - 0.29784648633228855, 0.3224882671969808, 0.3481517618665124, 0.3754616886642865, 0.4370883138210898, + 4.342942647204277e-07, 3.387364853334388e-05, 0.00038895363056868775, 0.004419831370155497, 0.014756522503960728, + 0.030096733930175052, 0.04796879437078968, 0.06646457923244158, 0.08445866292767418, 0.10139372238408119, + 0.1170521039752435, 0.17736880968990507, 0.2173557426191723, 0.247461626286143, 0.27333907966395066, + 0.29784648633228855, 0.3224882671969808, 0.3481517618665124, 0.3754616886642864, 0.43708831382108987, 0.5113111854322745, 0.6017866255084809, 0.7113195335442632, 0.8411244873729985, 1.1553360374650619, - 1.5289167002776547, 1.931457870689005, 2.3502480183341627, 2.778151250383644, 3.2068258760318495, - 3.639486489268586, 4.071882007306125, 4.505149978319906, 4.937016107464815, 6.017033339298781, + 1.5289167002776547, 1.931457870689005, 2.3502480183341627, 2.7781512503836434, 3.2068258760318495, + 3.639486489268586, 4.071882007306125, 4.505149978319906, 4.937016107464814, 6.017033339298781, 7.096910013008056, 8.176091259055681, 9.252853030979892, 10.324282455297693, 11.394451680826217, - 12.460897842756548, 13.523746466811565, 14.583198773968624, 15.638489256954637, 16.69108149212297, + 12.460897842756548, 13.523746466811565, 14.583198773968622, 15.638489256954637, 16.69108149212297, 17.73878055848437, 18.783903579272735, 19.826074802700827, 20.864511081058392, 21.90091306773767, - 22.935003151453657, 23.966610986681935, 24.996073654485276, 26.02530586526477, 27.049218022670182, + 22.935003151453653, 23.966610986681935, 24.996073654485276, 26.02530586526477, 27.049218022670182, 28.07554696139253, 29.096910013008056, 30.12057393120585, 31.139879086401237, 32.16136800223497, - 33.181843587944776, 34.20139712432045, 35.22010808804006, 36.238046103128795, 38.27415784926368, + 33.18184358794477, 34.20139712432045, 35.22010808804006, 36.238046103128795, 38.27415784926368, 40.311753861055756, 42.34830486304816, 44.38560627359831, 46.426511261364574, 48.46686762035411, 50.51054501020661, 55.632457292184725, }; @@ -460,13 +460,13 @@ namespace part_fun { MICROPHYSICS_UNUSED HIP_CONSTEXPR static AMREX_GPU_MANAGED amrex::Real fe52_pf_array[npts_1] = { 0.0, 0.0, 0.0, 0.0, 0.0, - 0.0, 0.0, 1.737174453219938e-06, 9.554373504133797e-06, 3.778197643341552e-05, - 0.00011333607006293107, 0.0030242952161453874, 0.015422212189991185, 0.040215337130588114, 0.07478865660777632, - 0.11488541698288197, 0.15714990338033966, 0.19960737134331175, 0.24132628928072955, 0.3217032118192907, - 0.39933965344635436, 0.4778337814344742, 0.5623989859221217, 0.6594581913549248, 0.9153998352122699, + 0.0, 0.0, 1.7371744532199383e-06, 9.554373504133797e-06, 3.778197643341552e-05, + 0.00011333607006293108, 0.0030242952161453874, 0.015422212189991184, 0.040215337130588114, 0.07478865660777631, + 0.11488541698288196, 0.15714990338033966, 0.19960737134331175, 0.24132628928072955, 0.3217032118192907, + 0.3993396534463543, 0.4778337814344742, 0.5623989859221217, 0.6594581913549248, 0.9153998352122699, 1.2695129442179163, 1.6910814921229684, 2.143014800254095, 2.6009728956867484, 3.0569048513364727, 3.503790683057181, 3.946452265013073, 4.383815365980431, 4.818225893613955, 5.888740960682893, - 6.944482672150169, 7.9898945637187735, 9.02938377768521, 10.060697840353612, 11.086359830674748, + 6.944482672150168, 7.989894563718773, 9.02938377768521, 10.060697840353612, 11.086359830674748, 12.11058971029925, 13.127104798364808, 14.139879086401237, 15.14921911265538, 16.152288344383056, 17.152288344383056, 18.14921911265538, 19.143014800254097, 20.133538908370216, 21.12057393120585, 22.103803720955955, 23.08635983067475, 24.06445798922692, 25.041392685158225, 26.01703333929878, @@ -480,16 +480,16 @@ namespace part_fun { MICROPHYSICS_UNUSED HIP_CONSTEXPR static AMREX_GPU_MANAGED amrex::Real fe53_pf_array[npts_1] = { 0.0, 0.0, 0.0, 0.0, 0.0, - 0.0, 0.0, 1.3028814913777444e-06, 6.080080186165502e-06, 2.0411360986187108e-05, - 5.3849177176018417e-05, 0.00099773035779373, 0.004491618246634796, 0.011583129716232713, 0.022609392596802818, - 0.037536053829818145, 0.056184239286028684, 0.07836255359576536, 0.10393433162264984, 0.16508072986206487, - 0.2398955676994077, 0.3292351155694239, 0.4339067390755778, 0.5541592859186848, 0.8375884382355113, - 1.1702617153949575, 1.5314789170422551, 1.9148718175400505, 2.3096301674258988, 2.710963118995276, + 0.0, 0.0, 1.3028814913777444e-06, 6.080080186165502e-06, 2.0411360986187104e-05, + 5.384917717601842e-05, 0.00099773035779373, 0.004491618246634796, 0.011583129716232713, 0.02260939259680282, + 0.037536053829818145, 0.056184239286028684, 0.07836255359576534, 0.10393433162264984, 0.16508072986206487, + 0.2398955676994077, 0.3292351155694239, 0.43390673907557786, 0.5541592859186848, 0.8375884382355113, + 1.1702617153949575, 1.5314789170422551, 1.9148718175400503, 2.3096301674258988, 2.710963118995276, 3.1172712956557644, 3.5276299008713385, 3.940516484932567, 4.3560258571931225, 5.396199347095736, - 6.440909082065218, 7.48572142648158, 8.52762990087134, 9.564666064252089, 10.597695185925513, + 6.440909082065217, 7.48572142648158, 8.52762990087134, 9.564666064252089, 10.597695185925513, 11.626340367375043, 12.650307523131936, 13.669316880566113, 14.683947130751513, 15.69460519893357, 16.700703717145018, 17.7041505168398, 18.70329137811866, 19.699837725867244, 20.693726948923647, - 21.684845361644413, 22.67394199863409, 23.65991620006985, 24.64542226934909, 25.628388930050313, + 21.684845361644413, 22.67394199863409, 23.65991620006985, 24.64542226934909, 25.62838893005031, 26.60959440922522, 27.589949601325706, 28.569373909615045, 29.547774705387823, 30.525044807036846, 31.50105926221775, 32.47712125471966, 33.45331834004704, 34.428134794028786, 36.37839790094814, 38.32837960343874, 40.27875360095283, 42.230448921378276, 44.1846914308176, 46.13987908640124, @@ -502,17 +502,17 @@ namespace part_fun { 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.038750882690593e-05, 0.0006153933644858295, 0.0031795285189803882, 0.009608097244673557, - 0.021489478918632662, 0.039963481298721557, 0.06578505049986659, 0.09933285917375559, 0.1890456852906488, + 0.021489478918632662, 0.039963481298721557, 0.06578505049986659, 0.09933285917375559, 0.18904568529064877, 0.30450216050560097, 0.4386136969546961, 0.5858349639065905, 0.7435112541834851, 1.089905111439398, - 1.4727564493172123, 1.8864907251724818, 2.3201462861110542, 2.7604224834232123, 3.204119982655925, - 3.6503075231319366, 4.093421685162235, 4.539076098792776, 4.982271233039569, 6.089905111439398, + 1.4727564493172123, 1.8864907251724818, 2.320146286111054, 2.760422483423212, 3.204119982655925, + 3.6503075231319366, 4.093421685162235, 4.539076098792776, 4.982271233039568, 6.089905111439398, 7.190331698170292, 8.287801729930226, 9.378397900948137, 10.462397997898956, 11.539076098792776, 12.61066016308988, 13.675778341674086, 14.734799829588846, 15.789580712164426, 16.838219221907625, 17.88252453795488, 18.922206277439017, 19.957607287060096, 20.989449817666692, 22.01703333929878, 23.041392685158225, 24.06445798922692, 25.08278537031645, 26.100370545117563, 27.113943352306837, 28.127104798364808, 29.136720567156406, 30.146128035678238, 31.155336037465062, 32.16136800223497, 33.164352855784436, 34.17026171539496, 35.17318626841227, 36.17609125905568, 38.17897694729317, - 40.181843587944776, 42.181843587944776, 44.181843587944776, 46.1846914308176, 48.1846914308176, + 40.18184358794477, 42.18184358794477, 44.18184358794477, 46.1846914308176, 48.1846914308176, 50.18752072083646, 55.204119982655925, }; @@ -520,19 +520,19 @@ namespace part_fun { MICROPHYSICS_UNUSED HIP_CONSTEXPR static AMREX_GPU_MANAGED amrex::Real fe55_pf_array[npts_1] = { 0.0, 0.0, 0.0, 0.0, 1.3028814913777444e-06, - 1.563431993241418e-05, 7.599488497457784e-05, 0.0002370600756061832, 0.0005564089438241259, 0.0010813488014597976, - 0.0018431377713960377, 0.009434322601068017, 0.022947317188587973, 0.04207202183227031, 0.06669370834774808, - 0.09644559083435454, 0.13073538555922604, 0.1689268514992448, 0.210470482925873, 0.30216484315823844, + 1.5634319932414176e-05, 7.599488497457784e-05, 0.0002370600756061832, 0.0005564089438241259, 0.0010813488014597976, + 0.0018431377713960377, 0.009434322601068017, 0.022947317188587973, 0.04207202183227031, 0.06669370834774807, + 0.09644559083435453, 0.13073538555922604, 0.1689268514992448, 0.210470482925873, 0.30216484315823844, 0.40437472924396634, 0.5173772341350337, 0.6421575367181118, 0.7795497407641858, 1.089905111439398, 1.4471580313422192, 1.8312296938670634, 2.2355284469075487, 2.649334858712142, 3.0718820073061255, 3.496929648073215, 3.926856708949692, 4.359835482339888, 4.79309160017658, 5.8819549713396, 6.973589623427257, 8.064457989226918, 9.14921911265538, 10.232996110392154, 11.307496037913213, - 12.378397900948137, 13.444044795918076, 14.503790683057181, 15.558708570533167, 16.608526033577196, + 12.378397900948137, 13.444044795918076, 14.503790683057181, 15.558708570533165, 16.608526033577196, 17.65417654187796, 18.69635638873333, 19.73399928653839, 20.768638101247614, 21.800029359244135, 22.82865989653532, 23.854913022307855, 24.878521795501207, 25.899820502427097, 26.91960102378411, 27.937517892017347, 28.954242509439325, 29.96941591235398, 30.983626287124533, 31.99694924849538, 33.00860017176192, 34.02118929906994, 35.03342375548695, 36.04532297878666, 38.064457989226916, - 40.08635983067475, 42.10720996964787, 44.127104798364805, 46.15228834438306, 48.17609125905568, + 40.086359830674745, 42.10720996964787, 44.127104798364805, 46.15228834438306, 48.17609125905568, 50.20139712432045, 55.28103336724773, }; @@ -540,19 +540,19 @@ namespace part_fun { MICROPHYSICS_UNUSED HIP_CONSTEXPR static AMREX_GPU_MANAGED amrex::Real fe56_pf_array[npts_1] = { 0.0, 0.0, 0.0, 0.0, 0.0, - 0.0, 0.0, 1.737174453219938e-06, 9.988658214691803e-06, 3.951899976600419e-05, - 0.00011724368292883856, 0.0030902761496993327, 0.0156878675130911, 0.04089651650139036, 0.07635858866725906, - 0.11828391003740014, 0.16392102383975418, 0.21196213905930564, 0.2621108778253895, 0.36964919324674056, + 0.0, 0.0, 1.7371744532199383e-06, 9.988658214691801e-06, 3.951899976600419e-05, + 0.00011724368292883856, 0.0030902761496993327, 0.0156878675130911, 0.04089651650139037, 0.07635858866725904, + 0.11828391003740016, 0.16392102383975418, 0.21196213905930564, 0.2621108778253895, 0.36964919324674056, 0.4887648498436591, 0.6206486780522652, 0.76578080127876, 0.924731337394998, 1.2855573090077739, 1.6972293427597176, 2.143014800254095, 2.606381365110605, 3.0718820073061255, 3.5403294747908736, 4.004321373782642, 4.468347330412158, 4.928395852256714, 5.38738982633873, 6.5276299008713385, - 7.66086547800387, 8.788168371141168, 9.909556029241175, 11.02530586526477, 12.136720567156408, + 7.660865478003869, 8.788168371141168, 9.909556029241175, 11.02530586526477, 12.136720567156408, 13.2405492482826, 14.340444114840118, 15.432969290874405, 16.52244423350632, 17.606381365110604, 18.686636269262294, 19.76192783842053, 20.833147111912787, 21.90036712865647, 22.96473092105363, 24.02530586526477, 25.08278537031645, 26.139879086401237, 27.193124598354462, 28.243038048686294, - 29.292256071356476, 30.338456493604607, 31.383815365980432, 32.428134794028786, 33.46982201597816, - 34.51188336097888, 35.552668216112195, 36.59217675739587, 37.631443769013174, 39.70842090013471, - 41.78390357927274, 43.85913829729453, 45.93449845124357, 48.00860017176192, 50.08635983067475, + 29.292256071356476, 30.338456493604603, 31.383815365980432, 32.428134794028786, 33.46982201597816, + 34.51188336097887, 35.552668216112195, 36.59217675739587, 37.631443769013174, 39.70842090013471, + 41.78390357927273, 43.85913829729453, 45.93449845124357, 48.00860017176192, 50.086359830674745, 52.164352855784436, 57.37106786227174, }; @@ -561,27 +561,27 @@ namespace part_fun { MICROPHYSICS_UNUSED HIP_CONSTEXPR static AMREX_GPU_MANAGED amrex::Real co55_pf_array[npts_1] = { 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, - 0.0, 0.0, 8.685880952436748e-07, 1.4331481434642371e-05, 9.336327741651444e-05, - 0.0003811432576949256, 0.0011510907323373071, 0.0028275866787247843, 0.0059861278100218065, 0.019727612600003868, + 0.0, 0.0, 8.685880952436747e-07, 1.4331481434642371e-05, 9.336327741651445e-05, + 0.00038114325769492564, 0.001151090732337307, 0.0028275866787247843, 0.0059861278100218065, 0.019727612600003865, 0.049238961363648255, 0.10167663281566902, 0.18228879723157643, 0.29243817096179087, 0.5865873046717549, - 0.9449759084120479, 1.3324384599156054, 1.7363965022766426, 2.14921911265538, 2.56702636615906, + 0.9449759084120479, 1.3324384599156054, 1.7363965022766423, 2.1492191126553797, 2.56702636615906, 2.991226075692495, 3.419955748489758, 3.851869600729766, 4.2878017299302265, 5.382017042574868, 6.482873583608754, 7.5820633629117085, 8.677606952720494, 9.767155866082181, 10.85003325768977, - 11.927370363039024, 12.998695158311655, 14.064457989226918, 15.127104798364808, 16.181843587944773, + 11.927370363039023, 12.998695158311655, 14.064457989226918, 15.127104798364808, 16.181843587944773, 17.232996110392154, 18.281033367247726, 19.32428245529769, 20.3654879848909, 21.401400540781545, 22.436162647040756, 23.468347330412158, 24.4983105537896, 25.525044807036846, 26.550228353055093, 27.57403126772772, 28.59659709562646, 29.6170003411209, 30.636487896353366, 31.65609820201283, - 32.673941998634085, 33.69108149212297, 34.70757017609794, 35.72427586960079, 37.755874855672495, + 32.673941998634085, 33.69108149212297, 34.70757017609794, 35.72427586960079, 37.75587485567249, 39.786751422145564, 41.818225893613956, 43.850033257689766, 45.88309335857569, 47.91750550955255, - 49.954242509439325, 55.056904851336476, + 49.954242509439325, 55.05690485133647, }; // this is log10(partition function) MICROPHYSICS_UNUSED HIP_CONSTEXPR static AMREX_GPU_MANAGED amrex::Real co56_pf_array[npts_1] = { - 0.0, 1.737174453219938e-06, 3.4307908925770636e-05, 0.0007363730997827177, 0.0033971928789644857, + 0.0, 1.7371744532199383e-06, 3.4307908925770636e-05, 0.0007363730997827178, 0.003397192878964486, 0.008467734331585224, 0.01550645173957485, 0.0238164702394971, 0.03279759856010612, 0.04203693696495622, - 0.05128645751287552, 0.09519865223967468, 0.13622861655702886, 0.17671416946686702, 0.217299658976496, + 0.05128645751287552, 0.09519865223967466, 0.13622861655702886, 0.176714169466867, 0.21729965897649603, 0.2578772011708393, 0.2983265845453606, 0.3387098245578885, 0.3792523836931725, 0.46216521358362883, 0.5500314690476197, 0.6456769741905006, 0.7513340033440492, 0.8684365267163909, 1.1367205671564067, 1.4517864355242902, 1.7986506454452689, 2.1702617153949575, 2.5599066250361124, 2.9614210940664485, @@ -592,7 +592,7 @@ namespace part_fun { 22.81358098856819, 23.853089529851864, 24.890979596989688, 25.926856708949693, 26.960946195733833, 27.99387691494121, 29.02530586526477, 30.056904851336473, 31.08635983067475, 32.11727129565576, 33.14612803567824, 34.17318626841227, 35.20139712432045, 36.230448921378276, 38.28555730900777, - 40.3424226808222, 42.39967372148104, 44.45939248775923, 46.52113808370404, 48.585460729508505, + 40.3424226808222, 42.39967372148104, 44.45939248775923, 46.52113808370404, 48.5854607295085, 50.651278013998144, 55.831229693867066, }; @@ -601,19 +601,19 @@ namespace part_fun { MICROPHYSICS_UNUSED HIP_CONSTEXPR static AMREX_GPU_MANAGED amrex::Real co57_pf_array[npts_1] = { 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, - 4.342942647204277e-07, 4.994099386680048e-05, 0.0005963110461953748, 0.0027783956198411766, 0.008035647971175026, - 0.017613403025029208, 0.03234391616743566, 0.05264970241280307, 0.07864673504318613, 0.14731854080928636, - 0.23700682147881125, 0.34629017327562855, 0.4739201725299878, 0.6185154181425263, 0.9503648543761231, - 1.3263358609287514, 1.7299742856995557, 2.14921911265538, 2.57978359661681, 3.0170333392987803, + 4.342942647204277e-07, 4.994099386680048e-05, 0.0005963110461953748, 0.0027783956198411766, 0.008035647971175024, + 0.017613403025029208, 0.03234391616743567, 0.05264970241280307, 0.07864673504318612, 0.14731854080928636, + 0.23700682147881122, 0.34629017327562855, 0.47392017252998775, 0.6185154181425263, 0.9503648543761231, + 1.3263358609287514, 1.7299742856995557, 2.1492191126553797, 2.57978359661681, 3.0170333392987803, 3.456366033129043, 3.900913067737669, 4.348304863048161, 4.795880017344075, 5.922206277439017, - 7.05307844348342, 8.178976947293169, 9.30319605742049, 10.423245873936809, 11.537819095073274, + 7.05307844348342, 8.178976947293169, 9.30319605742049, 10.423245873936807, 11.537819095073274, 12.64640372622307, 13.751279103983343, 14.850646235183067, 15.94546858513182, 17.037426497940622, 18.12057393120585, 19.204119982655925, 20.28330122870355, 21.357934847000454, 22.431363764158988, 23.50105926221775, 24.568201724066995, 25.632457292184725, 26.69635638873333, 27.757396028793025, - 28.816903839375662, 29.87563993700417, 30.932473764677155, 31.989004615698537, 33.04532297878666, - 34.10037054511756, 35.15228834438306, 36.20682587603185, 37.26007138798508, 39.3654879848909, - 41.47275644931721, 43.578639209968074, 45.686636269262294, 47.79657433321043, 49.907948521612276, - 52.02118929906994, 57.318063334962766, + 28.81690383937566, 29.87563993700417, 30.93247376467715, 31.989004615698537, 33.04532297878666, + 34.10037054511756, 35.15228834438306, 36.20682587603185, 37.26007138798507, 39.3654879848909, + 41.47275644931721, 43.578639209968074, 45.686636269262294, 47.79657433321043, 49.90794852161227, + 52.02118929906994, 57.31806333496276, }; // this is log10(partition function) @@ -621,15 +621,15 @@ namespace part_fun { MICROPHYSICS_UNUSED HIP_CONSTEXPR static AMREX_GPU_MANAGED amrex::Real ni56_pf_array[npts_1] = { 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, - 0.0, 0.0, 4.342942647204277e-07, 7.817230319428648e-06, 6.42708273977769e-05, - 0.0002904458650804842, 0.0009123622824012838, 0.002249887625802649, 0.004694448751887299, 0.014735532704563183, + 0.0, 0.0, 4.342942647204277e-07, 7.817230319428646e-06, 6.42708273977769e-05, + 0.0002904458650804842, 0.0009123622824012837, 0.0022498876258026487, 0.0046944487518873, 0.014735532704563181, 0.03529042138996706, 0.07190703372466718, 0.13162956968664008, 0.22190042758492473, 0.5092025223311029, 0.9132839017604184, 1.374748346010104, 1.8555191556678001, 2.3404441148401185, 2.8221680793680175, - 3.303196057420489, 3.783903579272735, 4.26245108973043, 4.7419390777291985, 5.9344984512435675, + 3.3031960574204886, 3.783903579272735, 4.26245108973043, 4.7419390777291985, 5.9344984512435675, 7.117271295655764, 8.292256071356476, 9.456366033129044, 10.608526033577194, 11.750508394851346, 12.88309335857569, 14.008600171761918, 15.123851640967086, 16.232996110392154, 17.33645973384853, 18.432969290874407, 19.525044807036846, 20.612783856719737, 21.695481676490196, 22.773786444981194, - 23.8481891169914, 24.919078092376076, 25.987219229908003, 27.05307844348342, 28.113943352306837, + 23.8481891169914, 24.919078092376076, 25.987219229908003, 27.053078443483418, 28.113943352306837, 29.17609125905568, 30.232996110392154, 31.287801729930226, 32.3424226808222, 33.39619934709574, 34.44715803134222, 35.49692964807321, 36.54530711646582, 37.594392550375424, 39.68752896121463, 41.77959649125783, 43.86981820797933, 45.959518376973, 48.04921802267018, 50.13987908640124, @@ -640,13 +640,13 @@ namespace part_fun { MICROPHYSICS_UNUSED HIP_CONSTEXPR static AMREX_GPU_MANAGED amrex::Real ni57_pf_array[npts_1] = { 0.0, 0.0, 0.0, 0.0, 0.0, - 0.0, 4.342942647204277e-07, 1.737174453219938e-06, 9.554373504133797e-06, 3.257086475060328e-05, - 8.771862606148251e-05, 0.001741066338569756, 0.007809206274475302, 0.019214774774593695, 0.03493231633712191, - 0.05345799700199784, 0.07364137994668779, 0.0948950837519807, 0.11713833477999396, 0.16608656859343762, - 0.2256589031228119, 0.3025878355093501, 0.4025382106894563, 0.5279492540555757, 0.8463371121298052, + 0.0, 4.342942647204277e-07, 1.7371744532199383e-06, 9.554373504133797e-06, 3.257086475060328e-05, + 8.771862606148251e-05, 0.0017410663385697559, 0.007809206274475302, 0.01921477477459369, 0.03493231633712192, + 0.05345799700199783, 0.07364137994668778, 0.0948950837519807, 0.11713833477999397, 0.16608656859343765, + 0.22565890312281184, 0.3025878355093501, 0.4025382106894563, 0.5279492540555757, 0.8463371121298052, 1.2253092817258628, 1.631443769013172, 2.05307844348342, 2.484299839346786, 2.9237619608287004, - 3.369215857410143, 3.81888541459401, 4.27415784926368, 4.731588765186738, 5.884795363948981, - 7.041392685158225, 8.195899652409233, 9.344392273685111, 10.482873583608754, 11.61384182187607, + 3.369215857410143, 3.8188854145940097, 4.27415784926368, 4.731588765186738, 5.884795363948981, + 7.041392685158225, 8.195899652409233, 9.344392273685111, 10.482873583608754, 11.613841821876068, 12.736396502276643, 13.851258348719075, 14.959041392321094, 16.060697840353612, 17.15836249209525, 18.247973266361807, 19.332438459915604, 20.414973347970818, 21.492760389026838, 22.565847818673518, 23.636487896353366, 24.7041505168398, 25.768638101247614, 26.831229693867062, 27.89209460269048, @@ -661,15 +661,15 @@ namespace part_fun { MICROPHYSICS_UNUSED HIP_CONSTEXPR static AMREX_GPU_MANAGED amrex::Real ni58_pf_array[npts_1] = { 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, - 0.0, 2.822822391636452e-05, 0.00047225553585970024, 0.002585892832508531, 0.008151594991554035, - 0.018820703394680185, 0.03585661791649524, 0.06012759625228829, 0.09212527438468374, 0.17939292292561176, - 0.29475734836761314, 0.4327687639976253, 0.5886922364625494, 0.7597527315231631, 1.1398790864012365, + 0.0, 2.822822391636452e-05, 0.0004722555358597003, 0.0025858928325085315, 0.008151594991554035, + 0.018820703394680185, 0.03585661791649524, 0.060127596252288286, 0.09212527438468374, 0.17939292292561174, + 0.29475734836761314, 0.43276876399762537, 0.5886922364625494, 0.7597527315231631, 1.1398790864012365, 1.5670263661590604, 2.0211892990699383, 2.4913616938342726, 2.968015713993642, 3.4471580313422194, 3.9253120914996495, 4.4048337166199385, 4.884795363948981, 5.363611979892144, 6.561101383649056, 7.754348335711019, 8.94101424370557, 10.12057393120585, 11.290034611362518, 12.45178643552429, 13.60530504614111, 14.752048447819439, 15.89209460269048, 17.02530586526477, 18.155336037465062, 19.276461804173245, 20.394451680826215, 21.50650503240487, 22.6159500516564, 23.72098574415374, - 24.82216807936802, 25.920123326290724, 27.01703333929878, 28.10720996964787, 29.198657086954423, + 24.822168079368016, 25.920123326290724, 27.01703333929878, 28.10720996964787, 29.198657086954423, 30.285557309007775, 31.371067862271737, 32.456366033129044, 33.539076098792776, 34.620136054973756, 35.70070371714502, 36.78031731214015, 37.85853719756964, 38.936513742478894, 41.0899051114394, 43.243038048686294, 45.39619934709574, 47.549003262025785, 49.70156798505593, 51.8561244442423, @@ -680,17 +680,17 @@ namespace part_fun { MICROPHYSICS_UNUSED HIP_CONSTEXPR static AMREX_GPU_MANAGED amrex::Real cu59_pf_array[npts_1] = { 0.0, 0.0, 0.0, 0.0, 0.0, - 2.605759074128604e-06, 1.650287675964334e-05, 6.340236609775624e-05, 0.0001758536572084404, 0.000390689249910088, - 0.0007428764320814314, 0.005397605476010477, 0.015802627271542913, 0.03197570643412326, 0.05338618387681151, - 0.07956831941607959, 0.11034623515591227, 0.14582826905434224, 0.18630242506533595, 0.2835775511211497, + 2.605759074128604e-06, 1.650287675964334e-05, 6.340236609775624e-05, 0.00017585365720844043, 0.000390689249910088, + 0.0007428764320814314, 0.005397605476010478, 0.015802627271542913, 0.03197570643412326, 0.05338618387681151, + 0.07956831941607957, 0.11034623515591226, 0.1458282690543422, 0.18630242506533595, 0.2835775511211497, 0.4040800579842662, 0.5475464254977157, 0.71148885462942, 0.8921585172262729, 1.2855573090077739, 1.7075701760979363, 2.143014800254095, 2.5888317255942073, 3.037426497940624, 3.4913616938342726, 3.9479236198317262, 4.4048337166199385, 4.865103974641128, 5.324282455297693, 6.480006942957151, 7.6344772701607315, 8.788168371141168, 9.939019776448667, 11.086359830674748, 12.227886704613674, 13.36735592102602, 14.501059262217751, 15.630427875025024, 16.75587485567249, 17.877946951629188, - 18.99563519459755, 20.110589710299248, 21.222716471147585, 22.330413773349193, 23.436162647040756, + 18.99563519459755, 20.110589710299248, 21.22271647114758, 22.33041377334919, 23.436162647040756, 24.540329474790873, 25.6414741105041, 26.741151598851786, 27.838849090737256, 28.934498451243567, - 30.02938377768521, 31.123851640967086, 32.2148438480477, 33.30749603791321, 34.39967372148104, + 30.029383777685208, 31.123851640967086, 32.2148438480477, 33.30749603791321, 34.39967372148104, 35.489958479424836, 36.58092497567562, 37.67117284271508, 38.76042248342321, 40.940516484932566, 43.12057393120585, 45.303196057420486, 47.48572142648158, 49.67117284271508, 51.85913829729453, 54.04921802267018, 59.54032947479087, @@ -700,9 +700,9 @@ namespace part_fun { MICROPHYSICS_UNUSED HIP_CONSTEXPR static AMREX_GPU_MANAGED amrex::Real zn60_pf_array[npts_1] = { 0.0, 0.0, 0.0, 0.0, 0.0, - 0.0, 0.0, 0.0, 8.685880952436748e-07, 5.211502513843472e-06, - 1.8674261228107377e-05, 0.0009166960915506938, 0.006364623716448547, 0.020197147995473213, 0.043233346133400956, - 0.07391108301493143, 0.10997790066148229, 0.14954178751803535, 0.19143452549394308, 0.2810122204570727, + 0.0, 0.0, 0.0, 8.685880952436747e-07, 5.211502513843472e-06, + 1.8674261228107377e-05, 0.0009166960915506938, 0.006364623716448546, 0.020197147995473213, 0.043233346133400956, + 0.07391108301493142, 0.10997790066148228, 0.14954178751803532, 0.19143452549394308, 0.2810122204570727, 0.3812506749896455, 0.4993433592273684, 0.6430235987933117, 0.8169781794613935, 1.2479732663618066, 1.7512791039833422, 2.2764618041732443, 2.8055008581584002, 3.3283796034387376, 3.845098040014257, 4.354108439147401, 4.859138297294531, 5.357934847000454, 5.854913022307856, 7.08278537031645, @@ -710,7 +710,7 @@ namespace part_fun { 14.278753600952829, 15.457881896733992, 16.63144376901317, 17.800717078282386, 18.965671971220107, 20.127104798364808, 21.28330122870355, 22.436162647040756, 23.5854607295085, 24.73158876518674, 25.8750612633917, 27.01703333929878, 28.152288344383056, 29.29003461136252, 30.423245873936807, - 31.55509444857832, 32.68574173860227, 33.814913181275074, 34.94250410616808, 36.06818586174616, + 31.55509444857832, 32.68574173860226, 33.814913181275074, 34.94250410616808, 36.06818586174616, 37.19589965240923, 38.320146286111054, 39.444044795918074, 40.568201724066995, 42.814913181275074, 45.06069784035361, 47.30749603791321, 49.552668216112195, 51.80071707828238, 54.04921802267018, 56.30102999566398, 61.93851972517649, diff --git a/networks/He-C-Fe-group/reaclib_rates.H b/networks/He-C-Fe-group/reaclib_rates.H index 90d7e8e3cb..7e16f8c0c7 100644 --- a/networks/He-C-Fe-group/reaclib_rates.H +++ b/networks/He-C-Fe-group/reaclib_rates.H @@ -13,13 +13,13 @@ using namespace Species; struct rate_t { Array1D screened_rates; - Array1D add_energy_rate; + Real enuc_weak; }; struct rate_derivs_t { Array1D screened_rates; Array1D dscreened_rates_dT; - Array1D add_energy_rate; + Real enuc_weak; }; @@ -5031,7 +5031,7 @@ void rate_he4_mg24_to_p_al27_derived(const tf_t& tfactors, Real& rate, Real& dra Real set_rate{0.0}; // il10c - ln_set_rate = -6.445750338407261 + -22.82086933218981 * tfactors.T9i + 18.0416 * tfactors.T913 + ln_set_rate = -6.445750338407262 + -22.82086933218981 * tfactors.T9i + 18.0416 * tfactors.T913 + -1.54137 * tfactors.T9 + 0.0847506 * tfactors.T953 + -1.5 * tfactors.lnT9; if constexpr (do_T_derivatives) { @@ -5065,7 +5065,7 @@ void rate_he4_mg24_to_p_al27_derived(const tf_t& tfactors, Real& rate, Real& dra } // il10c - ln_set_rate = 30.03973966159274 + -18.578369332189812 * tfactors.T9i + -26.4162 * tfactors.T913i + ln_set_rate = 30.039739661592737 + -18.578369332189812 * tfactors.T9i + -26.4162 * tfactors.T913i + -2.0 * tfactors.T953 + -0.666667 * tfactors.lnT9; if constexpr (do_T_derivatives) { @@ -5223,7 +5223,7 @@ void rate_p_mn51_to_he4_cr48_derived(const tf_t& tfactors, Real& rate, Real& dra Real set_rate{0.0}; // ths8r - ln_set_rate = 58.73119795916718 + -6.476551190854941 * tfactors.T9i + -86.7459 * tfactors.T913i + 1.05653 * tfactors.T913 + ln_set_rate = 58.73119795916719 + -6.476551190854941 * tfactors.T9i + -86.7459 * tfactors.T913i + 1.05653 * tfactors.T913 + -1.15757 * tfactors.T9 + 0.0877546 * tfactors.T953 + -0.666667 * tfactors.lnT9; if constexpr (do_T_derivatives) { @@ -5865,7 +5865,7 @@ void rate_co57_to_n_co56_derived(const tf_t& tfactors, Real& rate, Real& drate_d Real set_rate{0.0}; // ths8r - ln_set_rate = 41.15219049522236 + -132.01531905660212 * tfactors.T9i + -1.37855 * tfactors.T913 + ln_set_rate = 41.15219049522237 + -132.01531905660212 * tfactors.T9i + -1.37855 * tfactors.T913 + 0.299896 * tfactors.T9 + -0.04382 * tfactors.T953 + 1.5 * tfactors.lnT9; if constexpr (do_T_derivatives) { @@ -6036,7 +6036,7 @@ void rate_ni57_to_p_co56_derived(const tf_t& tfactors, Real& rate, Real& drate_d Real set_rate{0.0}; // ths8r - ln_set_rate = 60.083837675782306 + -85.07956901620872 * tfactors.T9i + -38.1094 * tfactors.T913i + 2.57091 * tfactors.T913 + ln_set_rate = 60.08383767578231 + -85.07956901620872 * tfactors.T9i + -38.1094 * tfactors.T913i + 2.57091 * tfactors.T913 + -2.07795 * tfactors.T9 + 0.20757 * tfactors.T953 + 0.833333 * tfactors.lnT9; if constexpr (do_T_derivatives) { @@ -6440,7 +6440,7 @@ void rate_he4_fe53_to_n_ni56_derived(const tf_t& tfactors, Real& rate, Real& dra Real set_rate{0.0}; // ths8r - ln_set_rate = -11.227076237025187 + -31.193524937158223 * tfactors.T9i + 6.43259 * tfactors.T913 + ln_set_rate = -11.227076237025186 + -31.193524937158223 * tfactors.T9i + 6.43259 * tfactors.T913 + 2.29591 * tfactors.T9 + -0.254724 * tfactors.T953; if constexpr (do_T_derivatives) { @@ -6626,7 +6626,7 @@ void rate_he4_fe54_to_p_co57_derived(const tf_t& tfactors, Real& rate, Real& dra Real set_rate{0.0}; // ths8r - ln_set_rate = -1.4219519875346398 + -20.56680351235092 * tfactors.T9i + -38.1133 * tfactors.T913i + 29.3541 * tfactors.T913 + ln_set_rate = -1.4219519875346407 + -20.56680351235092 * tfactors.T9i + -38.1133 * tfactors.T913i + 29.3541 * tfactors.T913 + -4.75966 * tfactors.T9 + 0.40418 * tfactors.T953 + -0.666667 * tfactors.lnT9; if constexpr (do_T_derivatives) { @@ -6998,7 +6998,7 @@ void rate_he4_co56_to_n_cu59_derived(const tf_t& tfactors, Real& rate, Real& dra Real set_rate{0.0}; // ths8r - ln_set_rate = 8.891854052419637 + -61.835022947265 * tfactors.T9i + -1.00882 * tfactors.T913 + ln_set_rate = 8.891854052419635 + -61.835022947265 * tfactors.T9i + -1.00882 * tfactors.T913 + 1.88993 * tfactors.T9 + -0.202319 * tfactors.T953; if constexpr (do_T_derivatives) { diff --git a/networks/He-C-Fe-group/table_rates.H b/networks/He-C-Fe-group/table_rates.H index f869c470c2..cb13acde91 100644 --- a/networks/He-C-Fe-group/table_rates.H +++ b/networks/He-C-Fe-group/table_rates.H @@ -126,6 +126,11 @@ void init_tab_info(const table_t& tf, const std::string& file, R& log_rhoy_table std::ifstream table; table.open(file); + if (!table.is_open()) { + // the table was not present or we could not open it; abort + amrex::Error("table could not be opened"); + } + std::string line; // read and skip over the header @@ -139,6 +144,10 @@ void init_tab_info(const table_t& tf, const std::string& file, R& log_rhoy_table for (int j = 1; j <= tf.nrhoy; ++j) { for (int i = 1; i <= tf.ntemp; ++i) { std::getline(table, line); + if (line.empty()) { + amrex::Error("Error reading table data"); + } + std::istringstream sdata(line); sdata >> log_rhoy_table(j) >> log_temp_table(i); @@ -305,8 +314,8 @@ evaluate_dr_dtemp(const table_t& table_meta, const R& log_rhoy_table, const T& l // Finally, we perform a 1d-linear interpolation between dlogr_dlogt_ip1 // and dlogr_dlogt_i to compute dlogr_dlogt - Real log_rhoy_lo = log_temp_table(irhoy_lo); - Real log_rhoy_hi = log_temp_table(irhoy_hi); + Real log_rhoy_lo = log_rhoy_table(irhoy_lo); + Real log_rhoy_hi = log_rhoy_table(irhoy_hi); Real log_temp_lo = log_temp_table(jtemp_lo); Real log_temp_hi = log_temp_table(jtemp_hi);