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Convert rprox to the new reactions scheme #1300

Merged
merged 24 commits into from
Aug 10, 2023
Merged

Convert rprox to the new reactions scheme #1300

merged 24 commits into from
Aug 10, 2023

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maxpkatz
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There were errors in the analytic Jacobian for rprox related to the use of delta1 and delta2 for determining which reaction pathways we were taking. This means results will change; while the new Jacobian is more likely to be correct, it is still not successful for integrating test_react with integrator.jacobian = 1.

@maxpkatz maxpkatz marked this pull request as ready for review July 26, 2023 02:44
@zingale
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zingale commented Aug 9, 2023

can you post the comparison of test_rhs here so it is contained in the PR

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$ fcompare react_rprox_test_rhs.VODE_current/ react_rprox_test_rhs.VODE_new/

            variable name            absolute error            relative error
                                        (||A - B||)         (||A - B||/||A||)
 ----------------------------------------------------------------------------
 level = 0
 density                                          0                         0
 temperature                                      0                         0
 Ydot_carbon-12                     2.902418445e-05           1.078975279e-14
 Ydot_oxygen-14                     4.768371582e-06           1.468577957e-15
 Ydot_oxygen-15                     2.902418445e-05           4.764296549e-11
 Ydot_oxygen-16                     0.0001831054688           3.559968971e-15
 Ydot_flourine-17                   0.0001907348633           3.708309299e-15
 Ydot_magnesium-22                  1.311302185e-05           8.887528509e-15
 Ydot_sulfur-30                     1.263618469e-05           8.833687319e-15
 Ydot_nickel-56                     6.407499313e-07           1.058762232e-14
 Ydot_helium-4                      3.051757812e-05           4.374859973e-15
 Ydot_hydrogen-1                    0.0001907348633           3.568630134e-15
 Xold_carbon-12                                   0                         0
 Xold_oxygen-14                                   0                         0
 Xold_oxygen-15                                   0                         0
 Xold_oxygen-16                                   0                         0
 Xold_flourine-17                                 0                         0
 Xold_magnesium-22                                0                         0
 Xold_sulfur-30                                   0                         0
 Xold_nickel-56                                   0                         0
 Xold_helium-4                                    0                         0
 Xold_hydrogen-1                                  0                         0
 Edot                                3.39089386e+15            1.13809291e-13
 J_carbon-12_carbon-12                0.00048828125            1.53248301e-15
 J_oxygen-14_carbon-12                0.00048828125            1.53248301e-15
 J_oxygen-15_carbon-12                            0                         0
 J_oxygen-16_carbon-12                            0                         0
 J_flourine-17_carbon-12                          0                         0
 J_magnesium-22_carbon-12                         0                         0
 J_sulfur-30_carbon-12                            0                         0
 J_nickel-56_carbon-12                            0                         0
 J_helium-4_carbon-12                             0                         0
 J_hydrogen-1_carbon-12                0.0009765625            1.53248301e-15
 J_E_carbon-12                      9.007199255e+15            4.45972275e-15
 J_carbon-12_oxygen-14                            0                         0
 J_oxygen-14_oxygen-14              1.907348633e-06           1.258763698e-18
 J_oxygen-15_oxygen-14                            0                         0
 J_oxygen-16_oxygen-14                            0                         0
 J_flourine-17_oxygen-14            1.907348633e-06           1.258763698e-18
 J_magnesium-22_oxygen-14                         0                         0
 J_sulfur-30_oxygen-14                            0                         0
 J_nickel-56_oxygen-14                            0                         0
 J_helium-4_oxygen-14               1.907348633e-06           1.258763698e-18
 J_hydrogen-1_oxygen-14             1.907348633e-06           1.258763698e-18
 J_E_oxygen-14                      3.602879702e+16           2.066351079e-14
 J_carbon-12_oxygen-15               0.005099443693              0.8993132837
 J_oxygen-14_oxygen-15                            0                         0
 J_oxygen-15_oxygen-15               0.005099443693           1.903218363e-11
 J_oxygen-16_oxygen-15              1.014813233e-16           1.633239086e-14
 J_flourine-17_oxygen-15                          0                         0
 J_magnesium-22_oxygen-15           4.649162292e-06           1.735163987e-14
 J_sulfur-30_oxygen-15                            0                         0
 J_nickel-56_oxygen-15                            0                         0
 J_helium-4_oxygen-15                0.005099443693           1.903218363e-11
 J_hydrogen-1_oxygen-15              0.005099443693           6.344061211e-12
 J_E_oxygen-15                      4.183108241e+16           5.712817948e-12
 J_carbon-12_oxygen-16                            0                         0
 J_oxygen-14_oxygen-16                            0                         0
 J_oxygen-15_oxygen-16                            0                         0
 J_oxygen-16_oxygen-16              0.0001525878906           1.662720771e-15
 J_flourine-17_oxygen-16            0.0001525878906           1.663145771e-15
 J_magnesium-22_oxygen-16           1.490116119e-07           9.151477797e-16
 J_sulfur-30_oxygen-16                            0                         0
 J_nickel-56_oxygen-16                            0                         0
 J_helium-4_oxygen-16               1.490116119e-07           9.151477797e-16
 J_hydrogen-1_oxygen-16             0.0001525878906           1.662295989e-15
 J_E_oxygen-16                       2.25619786e+15           4.222318355e-14
 J_carbon-12_flourine-17                          0                         0
 J_oxygen-14_flourine-17                          0                         0
 J_oxygen-15_flourine-17             2.56113708e-09           1.184825125e-14
 J_oxygen-16_flourine-17                0.037109375           3.637749341e-15
 J_flourine-17_flourine-17                 0.0390625           3.819661573e-15
 J_magnesium-22_flourine-17           9.918212891e-05           3.889405282e-15
 J_sulfur-30_flourine-17                          0                         0
 J_nickel-56_flourine-17                          0                         0
 J_helium-4_flourine-17             9.918212891e-05           3.889405282e-15
 J_hydrogen-1_flourine-17               0.037109375           3.637749461e-15
 J_E_flourine-17                    7.205759404e+17           1.219346573e-13
 J_carbon-12_magnesium-22                         0                         0
 J_oxygen-14_magnesium-22                         0                         0
 J_oxygen-15_magnesium-22                         0                         0
 J_oxygen-16_magnesium-22                         0                         0
 J_flourine-17_magnesium-22                         0                         0
 J_magnesium-22_magnesium-22           1.907728578e+12                         2
 J_sulfur-30_magnesium-22           1.907728578e+12                         2
 J_nickel-56_magnesium-22                         0                         0
 J_helium-4_magnesium-22            1.907728578e+12          1.797693135e+308
 J_hydrogen-1_magnesium-22           7.630914311e+12                         1
 J_E_magnesium-22                   8.616916897e+31               1.246543327
 J_carbon-12_sulfur-30                            0                         0
 J_oxygen-14_sulfur-30                            0                         0
 J_oxygen-15_sulfur-30                            0                         0
 J_oxygen-16_sulfur-30                            0                         0
 J_flourine-17_sulfur-30                          0                         0
 J_magnesium-22_sulfur-30                         0                         0
 J_sulfur-30_sulfur-30              1.013179442e+11                         2
 J_nickel-56_sulfur-30              1.013179442e+11                         2
 J_helium-4_sulfur-30               3.292833188e+11          1.797693135e+308
 J_hydrogen-1_sulfur-30             1.317133275e+12                         1
 J_E_sulfur-30                      1.450189669e+31               1.234633766
 J_carbon-12_nickel-56                            0                         0
 J_oxygen-14_nickel-56                            0                         0
 J_oxygen-15_nickel-56                            0                         0
 J_oxygen-16_nickel-56                            0                         0
 J_flourine-17_nickel-56                          0                         0
 J_magnesium-22_nickel-56                         0                         0
 J_sulfur-30_nickel-56                            0                         0
 J_nickel-56_nickel-56                            0                         0
 J_helium-4_nickel-56                             0                         0
 J_hydrogen-1_nickel-56                           0                         0
 J_E_nickel-56                                    0                         0
 J_carbon-12_helium-4               1.571606845e-09           1.099587726e-14
 J_oxygen-14_helium-4               1.192092896e-07           2.101821064e-18
 J_oxygen-15_helium-4                   14062.52271            0.001444116499
 J_oxygen-16_helium-4               4.656612873e-09            8.73181875e-16
 J_flourine-17_helium-4             1.192092896e-07           2.101821064e-18
 J_magnesium-22_helium-4            2.390157127e+10               1.000426577
 J_sulfur-30_helium-4               2.291754585e+10                         1
 J_nickel-56_helium-4                   984025417.3                         1
 J_helium-4_helium-4                    28125.04543           4.957935055e-07
 J_hydrogen-1_helium-4               2.16797231e+11               1.354091297
 J_E_helium-4                       1.960304046e+30              0.9676853157
 J_carbon-12_hydrogen-1             0.0003263950348           1.213374914e-14
 J_oxygen-14_hydrogen-1             4.196166992e-05           1.559926844e-15
 J_oxygen-15_hydrogen-1             0.0003240214511           1.910958564e-07
 J_oxygen-16_hydrogen-1             0.0001372247934           1.897147425e-13
 J_flourine-17_hydrogen-1            5.36441803e-07           1.005704094e-15
 J_magnesium-22_hydrogen-1           0.0001371949911           7.223736505e-13
 J_sulfur-30_hydrogen-1                           0                         0
 J_nickel-56_hydrogen-1                           0                         0
 J_helium-4_hydrogen-1              0.0004309862852           2.269274801e-12
 J_hydrogen-1_hydrogen-1             0.000324021437           6.014035765e-15
 J_E_hydrogen-1                      2.72239079e+15           1.593810707e-14
 J_carbon-12_E                      1.613891727e-10           2.536064847e-12
 J_oxygen-14_E                      9.237055565e-14           1.451578114e-15
 J_oxygen-15_E                       0.006413048658              0.8138430061
 J_oxygen-16_E                      4.185035754e-12           1.114721616e-14
 J_flourine-17_E                    1.307398634e-12           3.546698913e-15
 J_magnesium-22_E                    0.006413048658           0.0003814839094
 J_sulfur-30_E                      1.296740493e-13           8.199624811e-15
 J_nickel-56_E                      1.110223025e-14           1.089016255e-14
 J_helium-4_E                           40.29478737               2.402131603
 J_hydrogen-1_E                         161.1791495              0.5101314391
 J_E_E                              1.100107417e+21               0.835355453

@zingale zingale merged commit d32b1a0 into AMReX-Astro:development Aug 10, 2023
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@maxpkatz maxpkatz deleted the convert_rprox branch August 10, 2023 12:14
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