diff --git a/Exec/science/Detonation/ci-benchmarks/sdc_det_plt00040_extrema.out b/Exec/science/Detonation/ci-benchmarks/sdc_det_plt00040_extrema.out index b23a288448..5d48f26c1b 100644 --- a/Exec/science/Detonation/ci-benchmarks/sdc_det_plt00040_extrema.out +++ b/Exec/science/Detonation/ci-benchmarks/sdc_det_plt00040_extrema.out @@ -1,79 +1,79 @@ plotfile = det_x_plt00040 - time = 5.1558159133685604e-06 + time = 5.1558159140336702e-06 variables minimum value maximum value - density 185259613.21 216639295.98 - xmom -76364812859 2.9487648003e+16 + density 185259659.3 216625503.34 + xmom -13760057465 2.9527146771e+16 ymom 0 0 zmom 0 0 - rho_E 1.3062473824e+26 2.7890630574e+26 - rho_e 1.3062473824e+26 2.7748033958e+26 - Temp 50000004.458 7845854782 - rho_H1 2.1207015241e-22 0.020000144873 - rho_He3 0.0017224909604 0.021023115362 - rho_He4 94365290.111 200001891.25 - rho_C12 0.020000000212 21243051.967 - rho_N14 1.9999977239e-22 0.020000190213 - rho_O16 0.019999999996 19209.485639 - rho_Ne20 0.019999999996 9734.6358293 - rho_Mg24 0.019999999996 23306.635461 - rho_Si28 0.019999999996 2013766.0467 - rho_S32 0.019999999996 1654854.387 - rho_Ar36 0.019999999996 821077.40202 - rho_Ca40 0.019999999996 724428.55057 - rho_Ti44 0.019999999996 34137.672926 - rho_Cr48 0.019999999996 78094.207516 - rho_Fe52 0.019999999996 277975.05929 - rho_Fe54 0.019999999996 94999519.274 - rho_Ni56 0.019999999996 2236723.6985 - rho_n 2.1207015241e-22 234580.251 - rho_p 0.019999995434 3609846.1745 - rho_enuc -4.6916352344e+29 3.5793978339e+32 - pressure 5.5236728673e+25 1.1610546577e+26 - kineng 0 2.0430835425e+24 - soundspeed 612864631.35 895226082.4 - Gamma_1 1.359975607 1.3820247131 - MachNumber 0 0.16100811998 - uplusc 612864631.35 999536286.21 - uminusc -895226453.03 -612859846.92 - entropy 98214771.47 336273518.24 + rho_E 1.3062473821e+26 2.7889438781e+26 + rho_e 1.3062473821e+26 2.7747059271e+26 + Temp 50000000.026 7845854559 + rho_H1 2.1203665799e-22 0.020000114043 + rho_He3 0.0017224849005 0.021021778892 + rho_He4 94384549.451 200001582.65 + rho_C12 0.020000000216 21181006.118 + rho_N14 1.9999997268e-22 0.020000159166 + rho_O16 0.02 19209.472033 + rho_Ne20 0.02 3403.302453 + rho_Mg24 0.02 23330.215568 + rho_Si28 0.02 2016074.1508 + rho_S32 0.02 1656865.76 + rho_Ar36 0.02 822126.88981 + rho_Ca40 0.02 725125.60248 + rho_Ti44 0.02 34184.806642 + rho_Cr48 0.02 78126.082381 + rho_Fe52 0.02 278040.09021 + rho_Fe54 0.02 94986843.638 + rho_Ni56 0.02 2239055.987 + rho_n 0.020000004562 234580.08802 + rho_p 0.019999995438 3609282.9073 + rho_enuc -4.6902991452e+29 3.5778382148e+32 + pressure 5.5236728651e+25 1.1610543806e+26 + kineng 0 2.047804488e+24 + soundspeed 612864631.21 895226062.8 + Gamma_1 1.3599756296 1.3819790602 + MachNumber 0 0.16114515958 + uplusc 612864631.21 999634014.46 + uminusc -895226128.14 -612860627.32 + entropy 98214767.758 336273492.62 magvort 0 0 - divu -97902.982158 33744.686211 - eint_E 6.5312369121e+17 1.3804344246e+18 - eint_e 6.5312369121e+17 1.3804344246e+18 - logden 8.267780753 8.3357372357 - StateErr_0 185259613.21 216639295.98 - StateErr_1 50000004.458 7845854782 - StateErr_2 1e-30 9.9999779304e-11 - X(H1) 1e-30 9.9999779304e-11 - X(He3) 8.9859771063e-12 9.9999601234e-11 - X(He4) 0.48406305162 0.9999999982 - X(C12) 1.0000000106e-10 0.10016992833 - X(N14) 1e-30 1.0000000525e-10 - X(O16) 9.999999998e-11 9.6047401986e-05 - X(Ne20) 9.999999998e-11 4.5902903915e-05 - X(Mg24) 9.999999998e-11 0.00011109993006 - X(Si28) 9.999999998e-11 0.010051430746 - X(S32) 9.999999998e-11 0.0083423100958 - X(Ar36) 9.999999998e-11 0.004162785426 - X(Ca40) 9.999999998e-11 0.0037083550771 - X(Ti44) 9.999999998e-11 0.00017290662768 - X(Cr48) 9.999999998e-11 0.00040059772358 - X(Fe52) 9.999999998e-11 0.001337522714 - X(Fe54) 9.999999998e-11 0.46488979858 - X(Ni56) 9.999999998e-11 0.010324644421 - X(n) 1e-30 0.0011729007238 - X(p) 9.9999977087e-11 0.017592929732 - abar 4.000000001 6.7312458561 - Ye 0.49998677577 0.50001556472 - x_velocity -381.82392939 138572160.27 + divu -97879.954761 33763.419428 + eint_E 6.5312369103e+17 1.3804343698e+18 + eint_e 6.5312369103e+17 1.3804343698e+18 + logden 8.267780861 8.3357095848 + StateErr_0 185259659.3 216625503.34 + StateErr_1 50000000.026 7845854559 + StateErr_2 1e-30 9.9999779324e-11 + X(H1) 1e-30 9.9999779324e-11 + X(He3) 8.9862145938e-12 9.9999601254e-11 + X(He4) 0.48407561714 0.9999999982 + X(C12) 1.0000000108e-10 0.099893133188 + X(N14) 1e-30 1.0000000432e-10 + X(O16) 1e-10 9.6047335509e-05 + X(Ne20) 1e-10 1.6050538078e-05 + X(Mg24) 1e-10 0.00011120690546 + X(Si28) 1e-10 0.010059247336 + X(S32) 1e-10 0.0083490446432 + X(Ar36) 1e-10 0.0041662673673 + X(Ca40) 1e-10 0.0037091533301 + X(Ti44) 1e-10 0.00017295101573 + X(Cr48) 1e-10 0.00040068985616 + X(Fe52) 1e-10 0.0013377863567 + X(Fe54) 1e-10 0.46486808681 + X(Ni56) 1e-10 0.010336068249 + X(n) 1.0000002281e-10 0.001172900139 + X(p) 9.9999977027e-11 0.017594951746 + abar 4.000000001 6.7310197958 + Ye 0.49998669648 0.50001557929 + x_velocity -68.800275809 138706560.7 y_velocity 0 0 z_velocity 0 0 - t_sound_t_enuc 3.4412406672e-13 0.97497430527 - enuc -2.4944881551e+21 1.6522384906e+24 - magvel 0 138572160.27 - radvel -381.82392939 138572160.27 - circvel 0 2 - magmom 0 2.9487648003e+16 + t_sound_t_enuc 3.4412406685e-13 0.97470686938 + enuc -2.4937801624e+21 1.6516237283e+24 + magvel 0 138706560.7 + radvel -68.800275809 138706560.7 + circvel 0 2.8284271247 + magmom 0 2.9527146771e+16 angular_momentum_x 0 0 angular_momentum_y 0 0 angular_momentum_z 0 0 diff --git a/Exec/science/Detonation/problem_initialize.H b/Exec/science/Detonation/problem_initialize.H index 58205bbf24..c625a16440 100644 --- a/Exec/science/Detonation/problem_initialize.H +++ b/Exec/science/Detonation/problem_initialize.H @@ -55,10 +55,15 @@ void problem_initialize () if (problem::in14 >= 0) { problem::xn[problem::in14] = amrex::max(problem::nfrac, problem::smallx); - problem::xn[problem::ihe4] = 1.0_rt - problem::cfrac - problem::nfrac - problem::ofrac - (NumSpec - 3) * problem::smallx; + problem::xn[problem::ihe4] = 1.0_rt - problem::xn[problem::ic12] + - problem::xn[problem::in14] + - problem::xn[problem::io16] + - (NumSpec - 4) * problem::smallx; } else { - problem::xn[problem::ihe4] = 1.0_rt - problem::cfrac - problem::ofrac - (NumSpec - 2) * problem::smallx; + problem::xn[problem::ihe4] = 1.0_rt - problem::xn[problem::ic12] + - problem::xn[problem::io16] + - (NumSpec - 3) * problem::smallx; } // Set the ambient material