From 59c3f391290335a55057f8b99936a3e7391e0fe4 Mon Sep 17 00:00:00 2001 From: Silke Maes Date: Mon, 21 Oct 2024 16:07:04 +0200 Subject: [PATCH] Adding training data --- data/paths_train_data.txt | 5 + .../csfrac_smooth.out | 6583 +++++++++++++++++ .../csphyspar_smooth.out | 139 + ...putChemistry_model_2022-12-27h10-44-23.txt | 57 + .../csfrac_smooth.out | 6583 +++++++++++++++++ .../csphyspar_smooth.out | 139 + ...putChemistry_model_2022-12-23h10-52-30.txt | 57 + .../csfrac_smooth.out | 6583 +++++++++++++++++ .../csphyspar_smooth.out | 139 + ...putChemistry_model_2022-12-28h15-08-21.txt | 57 + .../csfrac_smooth.out | 6583 +++++++++++++++++ .../csphyspar_smooth.out | 139 + ...putChemistry_model_2022-12-23h14-08-04.txt | 57 + .../csfrac_smooth.out | 6583 +++++++++++++++++ .../csphyspar_smooth.out | 139 + ...putChemistry_model_2022-12-25h13-20-46.txt | 57 + 16 files changed, 33900 insertions(+) create mode 100644 data/paths_train_data.txt create mode 100644 data/train/20210527_gridC_Mdot5e-5_v22-5_T_eps_model_2022-12-27h10-44-23/csfrac_smooth.out create mode 100644 data/train/20210527_gridC_Mdot5e-5_v22-5_T_eps_model_2022-12-27h10-44-23/csphyspar_smooth.out create mode 100644 data/train/20210527_gridC_Mdot5e-5_v22-5_T_eps_model_2022-12-27h10-44-23/inputChemistry_model_2022-12-27h10-44-23.txt create mode 100644 data/train/20211014_gridC_Mdot1e-6_v12-5_T_eps_model_2022-12-23h10-52-30/csfrac_smooth.out create mode 100644 data/train/20211014_gridC_Mdot1e-6_v12-5_T_eps_model_2022-12-23h10-52-30/csphyspar_smooth.out create mode 100644 data/train/20211014_gridC_Mdot1e-6_v12-5_T_eps_model_2022-12-23h10-52-30/inputChemistry_model_2022-12-23h10-52-30.txt create mode 100644 data/train/20211014_gridC_Mdot1e-7_v15_T_eps_model_2022-12-28h15-08-21/csfrac_smooth.out create mode 100644 data/train/20211014_gridC_Mdot1e-7_v15_T_eps_model_2022-12-28h15-08-21/csphyspar_smooth.out create mode 100644 data/train/20211014_gridC_Mdot1e-7_v15_T_eps_model_2022-12-28h15-08-21/inputChemistry_model_2022-12-28h15-08-21.txt create mode 100644 data/train/20211014_gridC_Mdot2e-7_v7-5_T_eps_model_2022-12-23h14-08-04/csfrac_smooth.out create mode 100644 data/train/20211014_gridC_Mdot2e-7_v7-5_T_eps_model_2022-12-23h14-08-04/csphyspar_smooth.out create mode 100644 data/train/20211014_gridC_Mdot2e-7_v7-5_T_eps_model_2022-12-23h14-08-04/inputChemistry_model_2022-12-23h14-08-04.txt create mode 100644 data/train/20211014_gridC_Mdot2e-8_v10_T_eps_model_2022-12-25h13-20-46/csfrac_smooth.out create mode 100644 data/train/20211014_gridC_Mdot2e-8_v10_T_eps_model_2022-12-25h13-20-46/csphyspar_smooth.out create mode 100644 data/train/20211014_gridC_Mdot2e-8_v10_T_eps_model_2022-12-25h13-20-46/inputChemistry_model_2022-12-25h13-20-46.txt diff --git a/data/paths_train_data.txt b/data/paths_train_data.txt new file mode 100644 index 0000000..242f78c --- /dev/null +++ b/data/paths_train_data.txt @@ -0,0 +1,5 @@ +/lhome/silkem/CHEM/Output_nov2022/20211014_gridC_Mdot1e-6_v12-5_T_eps/models/model_2022-12-23h10-52-30/csfrac_smooth.out +/lhome/silkem/CHEM/Output_nov2022/20211014_gridC_Mdot2e-7_v7-5_T_eps/models/model_2022-12-23h14-08-04/csfrac_smooth.out +/lhome/silkem/CHEM/Output_nov2022/20211014_gridC_Mdot2e-8_v10_T_eps/models/model_2022-12-25h13-20-46/csfrac_smooth.out +/lhome/silkem/CHEM/Output_nov2022/20210527_gridC_Mdot5e-5_v22-5_T_eps/models/model_2022-12-27h10-44-23/csfrac_smooth.out +/lhome/silkem/CHEM/Output_nov2022/20211014_gridC_Mdot1e-7_v15_T_eps/models/model_2022-12-28h15-08-21/csfrac_smooth.out diff --git a/data/train/20210527_gridC_Mdot5e-5_v22-5_T_eps_model_2022-12-27h10-44-23/csfrac_smooth.out b/data/train/20210527_gridC_Mdot5e-5_v22-5_T_eps_model_2022-12-27h10-44-23/csfrac_smooth.out new file mode 100644 index 0000000..e3c2f43 --- /dev/null +++ b/data/train/20210527_gridC_Mdot5e-5_v22-5_T_eps_model_2022-12-27h10-44-23/csfrac_smooth.out @@ -0,0 +1,6583 @@ + ** CALCULATED 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4.235E-018 1.445E-010 3.609E-012 2.110E-005 4.999E-001 + 1.318E+017 2.627E-015 1.462E-010 5.934E-015 1.054E-018 1.584E-010 4.502E-012 2.744E-005 4.999E-001 + 1.413E+017 1.474E-015 6.173E-011 4.676E-015 2.771E-019 1.408E-010 4.780E-012 3.513E-005 4.999E-001 + 1.514E+017 7.574E-016 2.476E-011 3.758E-015 8.161E-020 1.025E-010 4.406E-012 4.324E-005 4.999E-001 + 1.622E+017 3.584E-016 1.006E-011 2.928E-015 2.684E-020 6.235E-011 3.604E-012 5.246E-005 4.999E-001 + 1.738E+017 1.557E-016 4.329E-012 2.176E-015 9.749E-021 3.227E-011 2.653E-012 6.221E-005 4.998E-001 + 1.862E+017 6.159E-017 2.031E-012 1.536E-015 3.818E-021 1.441E-011 1.765E-012 7.208E-005 4.998E-001 + 1.995E+017 2.203E-017 1.032E-012 1.024E-015 1.549E-021 5.594E-012 1.058E-012 8.159E-005 4.998E-001 + 2.138E+017 7.149E-018 5.456E-013 6.399E-016 6.293E-022 1.887E-012 5.673E-013 9.117E-005 4.998E-001 + 2.291E+017 2.151E-018 2.841E-013 3.704E-016 2.535E-022 5.528E-013 2.703E-013 1.003E-004 4.998E-001 + 2.455E+017 6.247E-019 1.395E-013 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2.354E-019 6.646E-022 5.063E-027 2.212E-020 1.260E-018 2.227E-004 4.998E-001 + 5.248E+017 1.105E-025 4.537E-020 1.364E-022 1.872E-027 6.996E-021 5.346E-019 2.445E-004 4.998E-001 + 5.623E+017 3.182E-026 1.111E-020 3.468E-023 6.916E-028 2.262E-021 2.257E-019 2.708E-004 4.998E-001 + 6.026E+017 9.217E-027 3.208E-021 1.007E-023 2.526E-028 7.196E-022 9.260E-020 3.043E-004 4.998E-001 + 6.457E+017 2.666E-027 9.816E-022 3.002E-024 9.077E-029 2.211E-022 3.645E-020 3.400E-004 4.998E-001 + 6.918E+017 7.657E-028 3.031E-022 8.705E-025 3.189E-029 6.489E-023 1.363E-020 3.907E-004 4.998E-001 + 7.413E+017 2.168E-028 1.007E-022 4.153E-025 1.087E-029 1.787E-023 4.801E-021 4.383E-004 4.998E-001 + 7.943E+017 4.909E-029 2.392E-023 6.286E-026 3.115E-030 3.556E-024 1.575E-021 4.921E-004 4.998E-001 + 8.511E+017 2.933E-030 2.210E-024 9.651E-027 2.654E-031 9.583E-026 4.839E-022 5.122E-004 4.998E-001 + 9.120E+017 8.662E-031 3.845E-025 2.221E-027 4.970E-032 8.368E-027 1.476E-022 5.129E-004 4.998E-001 + 9.772E+017 4.294E-031 9.221E-026 5.695E-028 1.710E-032 1.647E-027 4.545E-023 5.130E-004 4.998E-001 + 1.047E+018 2.300E-031 2.391E-026 1.891E-028 6.244E-033 3.316E-028 1.414E-023 5.131E-004 4.998E-001 + RADIUS C10H3+ HC9N H2C9N+ H3C9N+ C11 C11+ e- H2 + + + diff --git a/data/train/20210527_gridC_Mdot5e-5_v22-5_T_eps_model_2022-12-27h10-44-23/csphyspar_smooth.out b/data/train/20210527_gridC_Mdot5e-5_v22-5_T_eps_model_2022-12-27h10-44-23/csphyspar_smooth.out new file mode 100644 index 0000000..f7694f7 --- /dev/null +++ b/data/train/20210527_gridC_Mdot5e-5_v22-5_T_eps_model_2022-12-27h10-44-23/csphyspar_smooth.out @@ -0,0 +1,139 @@ + ** PHYSICAL PARAMETERS ** + + + RADIUS n(Htot) TEMP A_UV EFF RAD. EFF C K(PH) C K(IP) C K(AP) CO K(PH) CO K(IP) CO K(AP) DELTA_AUV + 1.000E+014 5.009E+009 1.423E+003 1.246E+003 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 1.868E+003 + 1.072E+014 4.363E+009 1.389E+003 1.162E+003 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 1.952E+003 + 1.148E+014 3.800E+009 1.356E+003 1.085E+003 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 2.029E+003 + 1.230E+014 3.310E+009 1.324E+003 1.012E+003 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 2.102E+003 + 1.318E+014 2.882E+009 1.292E+003 9.449E+002 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 2.169E+003 + 1.413E+014 2.511E+009 1.261E+003 8.818E+002 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 2.232E+003 + 1.514E+014 2.187E+009 1.231E+003 8.230E+002 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 2.291E+003 + 1.622E+014 1.904E+009 1.202E+003 7.680E+002 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 2.346E+003 + 1.738E+014 1.659E+009 1.173E+003 7.168E+002 1.917E-314 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 2.397E+003 + 1.862E+014 1.445E+009 1.145E+003 6.689E+002 1.255E-293 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 2.445E+003 + 1.995E+014 1.258E+009 1.118E+003 6.243E+002 3.352E-274 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 2.490E+003 + 2.138E+014 1.096E+009 1.091E+003 5.826E+002 4.522E-256 6.605E-306 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 2.531E+003 + 2.291E+014 9.545E+008 1.065E+003 5.437E+002 3.761E-239 9.351E-286 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 2.570E+003 + 2.455E+014 8.313E+008 1.039E+003 5.074E+002 2.322E-223 1.172E-263 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 2.607E+003 + 2.630E+014 7.240E+008 1.015E+003 4.736E+002 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9.772E+017 5.245E+001 5.712E+001 1.275E-001 7.656E-001 2.625E-010 0.000E+000 0.000E+000 1.815E-010 0.000E+000 0.000E+000 3.114E+003 + 1.047E+018 4.568E+001 5.576E+001 1.190E-001 7.782E-001 2.673E-010 0.000E+000 0.000E+000 1.845E-010 0.000E+000 0.000E+000 3.114E+003 diff --git a/data/train/20210527_gridC_Mdot5e-5_v22-5_T_eps_model_2022-12-27h10-44-23/inputChemistry_model_2022-12-27h10-44-23.txt b/data/train/20210527_gridC_Mdot5e-5_v22-5_T_eps_model_2022-12-27h10-44-23/inputChemistry_model_2022-12-27h10-44-23.txt new file mode 100644 index 0000000..bb18fe9 --- /dev/null +++ b/data/train/20210527_gridC_Mdot5e-5_v22-5_T_eps_model_2022-12-27h10-44-23/inputChemistry_model_2022-12-27h10-44-23.txt @@ -0,0 +1,57 @@ +! INPUT PARAMETERS FOR THE RATE13_CSE_MODEL +! +! PHYSICAL PARAMETERS OF THE CIRCUMSTELLAR ENVELOPE +R_STAR = 20000000000000 +T_STAR = 2500.0 +MLOSS = 5e-05 +VELOCITY = 2250000 +TEMPMODE = EPSILON +EPSILON_TEMP_LAW = 0.35 +R_EPSIL = 20000000000000 +! +! GRAIN PARAMETERS FOR H2 FORMATION AND CR IONISATION +A_G = 1e-05 +X_G = 1.5e-12 +ALBEDO = 0.5 +ZETA = 1 +GAMCO = 3 +AUV_AV = 4.65 +! +! RADIUS INFORMATION +R_INNER_CHEM = 100000000000000 +R_OUTER_CHEM = 1000000000000000000 +RESOLUTION = 0.03 +! +! ANALYSE SUBROUTINE +PERFORM_ROUTINE = 0 +ROUTINE_RADIUS = 0 +FULL_ANALYSIS = 0 +SENSITIVITY = 0 +! +! DVODE +RTOL = 1e-05 +ATOL = 1e-20 +! +! CLUMPING PARAMETERS +CLUMPMODE = SMOOTH +FVOL = 0 +L = 0 +FIC = 0 +! +! INNER PHOTONS +ISTELLAR = 0 +IBIN = 0 +RSCALE = 50 +RDUST = 2 +TBIN = 6000 +RBIN = 0 +! +! SHIELDING FUNCTIONS CO AND N2 +FILECO = "/lhome/silkem/CHEM/src-IP-AP-HNR/shielding/co/shield.03.5.69-557-36.dat" +FILEN2 = "/lhome/silkem/CHEM/src-IP-AP-HNR/n2/Tex_10K_bH2_3km.s-1_bH_5km.s-1_NH_1e+20cm-2.dat" +! INPUT AND OUTPUT FILE NAMES +REACTIONS_FILE = "/lhome/silkem/CHEM/src-IP-AP-HNR/rates/rate16_IP_2330K_AP_6000K_corrected.rates" +SPECIES_FILE = "/lhome/silkem/CHEM/src-IP-AP-HNR/specs/rate16_IP_6000K_Crich_mean_Htot.specs" +! OUTPUT FILES CSFRAC_NAME.OUT AND CSNUM_NAME.OUT FOR FRACTIONAL ABUNDANCES AND NUMBER DENSITIES +OUTPUT_FOLDER = "/lhome/silkem/CHEM/Output_nov2022/20210527_gridC_Mdot5e-5_v22-5_T_eps/models/model_2022-12-27h10-44-23/" +SRC_CHEMISTRY = "src-IP-AP-HNR/" \ No newline at end of file diff --git a/data/train/20211014_gridC_Mdot1e-6_v12-5_T_eps_model_2022-12-23h10-52-30/csfrac_smooth.out b/data/train/20211014_gridC_Mdot1e-6_v12-5_T_eps_model_2022-12-23h10-52-30/csfrac_smooth.out new file mode 100644 index 0000000..baad345 --- /dev/null +++ b/data/train/20211014_gridC_Mdot1e-6_v12-5_T_eps_model_2022-12-23h10-52-30/csfrac_smooth.out @@ -0,0 +1,6583 @@ + ** CALCULATED FRACTIONAL ABUNDANCES (/H2) ** + + + RADIUS H H+ H- H2+ H3+ He He+ HeH+ C- C+ + 1.000E+014 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 8.500E-002 0.000E+000 0.000E+000 0.000E+000 0.000E+000 + 1.072E+014 2.599E-010 4.233E-015 8.655E-017 3.632E-017 3.617E-014 8.500E-002 4.212E-015 5.351E-019 2.086E-024 2.154E-015 + 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5.096E-034 4.387E-030 3.516E-030 7.940E-036 1.519E-033 3.323E-025 5.136E-004 4.997E-001 + 6.457E+017 2.372E-034 1.236E-030 4.015E-031 5.075E-036 3.607E-034 1.315E-025 5.137E-004 4.997E-001 + 6.918E+017 1.060E-034 4.429E-031 1.447E-031 3.234E-036 8.142E-035 4.963E-026 5.137E-004 4.997E-001 + 7.413E+017 4.530E-035 1.521E-031 3.131E-031 2.060E-036 1.752E-035 1.782E-026 5.138E-004 4.997E-001 + 7.943E+017 2.863E-035 1.292E-031 -3.216E-030 1.348E-036 3.579E-036 6.041E-027 5.139E-004 4.997E-001 + 8.511E+017 1.565E-035 8.247E-031 -2.604E-030 8.755E-037 6.856E-037 1.931E-027 5.140E-004 4.997E-001 + 9.120E+017 3.218E-036 1.833E-032 1.489E-032 5.636E-037 1.242E-037 5.901E-028 5.141E-004 4.997E-001 + 9.772E+017 1.222E-036 1.165E-032 2.140E-032 3.822E-037 2.121E-038 1.679E-028 5.142E-004 4.997E-001 + 1.047E+018 -2.457E-037 2.027E-032 1.598E-031 2.674E-037 3.402E-039 4.519E-029 5.143E-004 4.997E-001 + RADIUS C10H3+ HC9N H2C9N+ H3C9N+ C11 C11+ e- H2 + + + diff --git a/data/train/20211014_gridC_Mdot1e-6_v12-5_T_eps_model_2022-12-23h10-52-30/csphyspar_smooth.out b/data/train/20211014_gridC_Mdot1e-6_v12-5_T_eps_model_2022-12-23h10-52-30/csphyspar_smooth.out new file mode 100644 index 0000000..10ab6ad --- /dev/null +++ b/data/train/20211014_gridC_Mdot1e-6_v12-5_T_eps_model_2022-12-23h10-52-30/csphyspar_smooth.out @@ -0,0 +1,139 @@ + ** PHYSICAL PARAMETERS ** + + + RADIUS n(Htot) TEMP A_UV EFF RAD. EFF C K(PH) C K(IP) C K(AP) CO K(PH) CO K(IP) CO K(AP) DELTA_AUV + 1.000E+014 1.803E+008 1.265E+003 4.484E+001 9.799E-022 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 6.726E+001 + 1.072E+014 1.571E+008 1.239E+003 4.185E+001 2.129E-020 8.351E-033 0.000E+000 0.000E+000 3.947E-032 0.000E+000 0.000E+000 7.025E+001 + 1.148E+014 1.368E+008 1.214E+003 3.906E+001 3.783E-019 2.807E-031 0.000E+000 0.000E+000 5.076E-031 0.000E+000 0.000E+000 7.305E+001 + 1.230E+014 1.191E+008 1.189E+003 3.645E+001 5.567E-018 7.093E-030 0.000E+000 0.000E+000 5.442E-030 0.000E+000 0.000E+000 7.565E+001 + 1.318E+014 1.038E+008 1.164E+003 3.402E+001 6.870E-017 1.108E-028 0.000E+000 0.000E+000 4.185E-029 0.000E+000 0.000E+000 7.809E+001 + 1.413E+014 9.038E+007 1.140E+003 3.175E+001 7.188E-016 1.459E-027 0.000E+000 0.000E+000 2.891E-028 0.000E+000 0.000E+000 8.036E+001 + 1.514E+014 7.872E+007 1.117E+003 2.963E+001 6.446E-015 1.909E-026 0.000E+000 0.000E+000 2.029E-027 0.000E+000 0.000E+000 8.248E+001 + 1.622E+014 6.856E+007 1.094E+003 2.765E+001 5.004E-014 2.559E-025 0.000E+000 0.000E+000 1.484E-026 0.000E+000 0.000E+000 8.445E+001 + 1.738E+014 5.971E+007 1.072E+003 2.580E+001 3.395E-013 1.774E-024 0.000E+000 0.000E+000 6.652E-026 0.000E+000 0.000E+000 8.630E+001 + 1.862E+014 5.201E+007 1.050E+003 2.408E+001 2.031E-012 1.494E-023 0.000E+000 0.000E+000 3.531E-025 0.000E+000 0.000E+000 8.802E+001 + 1.995E+014 4.530E+007 1.028E+003 2.247E+001 1.081E-011 1.282E-022 0.000E+000 0.000E+000 1.940E-024 0.000E+000 0.000E+000 8.963E+001 + 2.138E+014 3.945E+007 1.007E+003 2.097E+001 5.153E-011 8.614E-022 0.000E+000 0.000E+000 8.950E-024 0.000E+000 0.000E+000 9.113E+001 + 2.291E+014 3.436E+007 9.864E+002 1.957E+001 2.219E-010 3.255E-021 0.000E+000 0.000E+000 2.631E-023 0.000E+000 0.000E+000 9.253E+001 + 2.455E+014 2.993E+007 9.662E+002 1.827E+001 8.693E-010 1.615E-020 0.000E+000 0.000E+000 9.768E-023 0.000E+000 0.000E+000 9.384E+001 + 2.630E+014 2.607E+007 9.464E+002 1.705E+001 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9.772E+017 1.888E+000 8.036E+001 4.589E-003 9.889E-001 3.459E-010 0.000E+000 0.000E+000 2.362E-010 0.000E+000 0.000E+000 1.121E+002 + 1.047E+018 1.645E+000 7.872E+001 4.282E-003 9.896E-001 3.461E-010 0.000E+000 0.000E+000 2.364E-010 0.000E+000 0.000E+000 1.121E+002 diff --git a/data/train/20211014_gridC_Mdot1e-6_v12-5_T_eps_model_2022-12-23h10-52-30/inputChemistry_model_2022-12-23h10-52-30.txt b/data/train/20211014_gridC_Mdot1e-6_v12-5_T_eps_model_2022-12-23h10-52-30/inputChemistry_model_2022-12-23h10-52-30.txt new file mode 100644 index 0000000..783e456 --- /dev/null +++ b/data/train/20211014_gridC_Mdot1e-6_v12-5_T_eps_model_2022-12-23h10-52-30/inputChemistry_model_2022-12-23h10-52-30.txt @@ -0,0 +1,57 @@ +! INPUT PARAMETERS FOR THE RATE13_CSE_MODEL +! +! PHYSICAL PARAMETERS OF THE CIRCUMSTELLAR ENVELOPE +R_STAR = 20000000000000 +T_STAR = 2050.0 +MLOSS = 1e-06 +VELOCITY = 1250000 +TEMPMODE = EPSILON +EPSILON_TEMP_LAW = 0.3 +R_EPSIL = 20000000000000 +! +! GRAIN PARAMETERS FOR H2 FORMATION AND CR IONISATION +A_G = 1e-05 +X_G = 1.5e-12 +ALBEDO = 0.5 +ZETA = 1 +GAMCO = 3 +AUV_AV = 4.65 +! +! RADIUS INFORMATION +R_INNER_CHEM = 100000000000000 +R_OUTER_CHEM = 1000000000000000000 +RESOLUTION = 0.03 +! +! ANALYSE SUBROUTINE +PERFORM_ROUTINE = 0 +ROUTINE_RADIUS = 0 +FULL_ANALYSIS = 0 +SENSITIVITY = 0 +! +! DVODE +RTOL = 1e-05 +ATOL = 1e-25 +! +! CLUMPING PARAMETERS +CLUMPMODE = SMOOTH +FVOL = 0 +L = 0 +FIC = 0 +! +! INNER PHOTONS +ISTELLAR = 0 +IBIN = 0 +RSCALE = 50 +RDUST = 2 +TBIN = 6000 +RBIN = 0 +! +! SHIELDING FUNCTIONS CO AND N2 +FILECO = "/lhome/silkem/CHEM/src-IP-AP-HNR/shielding/co/shield.03.5.69-557-36.dat" +FILEN2 = "/lhome/silkem/CHEM/src-IP-AP-HNR/n2/Tex_10K_bH2_3km.s-1_bH_5km.s-1_NH_1e+20cm-2.dat" +! INPUT AND OUTPUT FILE NAMES +REACTIONS_FILE = "/lhome/silkem/CHEM/src-IP-AP-HNR/rates/rate16_IP_2330K_AP_6000K_corrected.rates" +SPECIES_FILE = "/lhome/silkem/CHEM/src-IP-AP-HNR/specs/rate16_IP_6000K_Crich_mean_Htot.specs" +! OUTPUT FILES CSFRAC_NAME.OUT AND CSNUM_NAME.OUT FOR FRACTIONAL ABUNDANCES AND NUMBER DENSITIES +OUTPUT_FOLDER = "/lhome/silkem/CHEM/Output_nov2022/20211014_gridC_Mdot1e-6_v12-5_T_eps/models/model_2022-12-23h10-52-30/" +SRC_CHEMISTRY = "src-IP-AP-HNR/" \ No newline at end of file diff --git a/data/train/20211014_gridC_Mdot1e-7_v15_T_eps_model_2022-12-28h15-08-21/csfrac_smooth.out b/data/train/20211014_gridC_Mdot1e-7_v15_T_eps_model_2022-12-28h15-08-21/csfrac_smooth.out new file mode 100644 index 0000000..ce5c294 --- /dev/null +++ b/data/train/20211014_gridC_Mdot1e-7_v15_T_eps_model_2022-12-28h15-08-21/csfrac_smooth.out @@ -0,0 +1,6583 @@ + ** CALCULATED FRACTIONAL ABUNDANCES (/H2) ** + + + RADIUS H H+ H- H2+ H3+ He He+ HeH+ C- C+ + 1.000E+014 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 8.500E-002 0.000E+000 0.000E+000 0.000E+000 0.000E+000 + 1.072E+014 7.609E-009 4.681E-014 1.118E-015 4.358E-016 4.163E-013 8.500E-002 4.961E-014 6.421E-018 5.919E-022 1.159E-013 + 1.148E+014 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8.325E-021 + 6.457E+017 1.557E-025 1.900E-041 1.235E-022 1.584E-028 1.676E-035 6.093E-028 2.844E-041 -2.106E-039 2.041E-022 7.661E-021 + 6.918E+017 1.063E-025 9.806E-042 9.289E-023 1.292E-028 1.095E-035 5.367E-028 1.890E-041 3.254E-039 2.270E-022 6.948E-021 + 7.413E+017 7.214E-026 8.489E-042 6.955E-023 1.051E-028 7.043E-036 4.723E-028 1.555E-041 2.540E-038 2.525E-022 6.208E-021 + 7.943E+017 4.864E-026 1.565E-041 5.186E-023 8.532E-029 4.454E-036 4.153E-028 1.304E-041 4.227E-037 2.808E-022 5.460E-021 + 8.511E+017 3.259E-026 1.661E-042 3.850E-023 6.914E-029 2.769E-036 3.650E-028 4.788E-042 -3.322E-039 3.123E-022 4.725E-021 + 9.120E+017 2.169E-026 9.330E-043 2.846E-023 5.593E-029 1.693E-036 3.206E-028 3.034E-042 -6.755E-040 3.473E-022 4.021E-021 + 9.772E+017 1.435E-026 5.033E-043 2.095E-023 4.515E-029 1.018E-036 2.815E-028 1.889E-042 5.666E-041 3.865E-022 3.362E-021 + 1.047E+018 9.430E-027 2.685E-043 1.536E-023 3.637E-029 6.028E-037 2.471E-028 1.166E-042 2.853E-041 4.303E-022 2.760E-021 + RADIUS NO2 CH3OCH3 H2CS+ HCOOH PCH3+ H2SiO+ CH3OCH3+ C2H5OH NO2+ HPN+ + + + + RADIUS CH3OCH4+ SiF+ PNH2+ CCl H3CS+ PO+ CCl+ HNS+ PCH4+ HCOOH2+ + 1.000E+014 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 + 1.072E+014 1.022E-030 1.410E-016 1.707E-021 7.112E-021 4.505E-016 1.496E-020 6.739E-016 8.645E-024 1.015E-023 2.734E-017 + 1.148E+014 1.425E-029 6.274E-016 4.729E-021 7.465E-020 1.312E-015 4.165E-020 1.587E-015 4.131E-023 4.057E-023 6.354E-017 + 1.230E+014 6.055E-029 1.625E-015 8.092E-021 2.987E-019 2.434E-015 7.194E-020 2.733E-015 1.139E-022 8.008E-023 1.030E-016 + 1.318E+014 1.609E-028 3.444E-015 1.160E-020 8.167E-019 3.945E-015 1.047E-019 4.140E-015 2.537E-022 1.241E-022 1.449E-016 + 1.413E+014 3.314E-028 6.614E-015 1.513E-020 1.814E-018 6.139E-015 1.397E-019 5.819E-015 5.042E-022 1.709E-022 1.882E-016 + 1.514E+014 5.844E-028 1.200E-014 1.855E-020 3.531E-018 9.538E-015 1.767E-019 7.760E-015 9.315E-022 2.188E-022 2.311E-016 + 1.622E+014 9.441E-028 2.100E-014 2.173E-020 6.285E-018 1.499E-014 2.157E-019 9.930E-015 1.633E-021 2.662E-022 2.714E-016 + 1.738E+014 1.481E-027 3.575E-014 2.456E-020 1.052E-017 2.380E-014 2.569E-019 1.227E-014 2.746E-021 3.120E-022 3.067E-016 + 1.862E+014 2.365E-027 5.950E-014 2.708E-020 1.697E-017 3.792E-014 3.017E-019 1.471E-014 4.468E-021 3.565E-022 3.347E-016 + 1.995E+014 3.916E-027 9.703E-014 2.957E-020 2.695E-017 6.006E-014 3.532E-019 1.719E-014 7.075E-021 4.028E-022 3.540E-016 + 2.138E+014 6.663E-027 1.552E-013 3.276E-020 4.297E-017 9.392E-014 4.193E-019 1.964E-014 1.096E-020 4.593E-022 3.646E-016 + 2.291E+014 1.141E-026 2.438E-013 3.807E-020 6.975E-017 1.443E-013 5.155E-019 2.208E-014 1.669E-020 5.423E-022 3.676E-016 + 2.455E+014 1.934E-026 3.762E-013 4.809E-020 1.160E-016 2.175E-013 6.726E-019 2.457E-014 2.513E-020 6.802E-022 3.654E-016 + 2.630E+014 3.227E-026 5.704E-013 6.723E-020 1.970E-016 3.213E-013 9.479E-019 2.727E-014 3.755E-020 9.192E-022 3.611E-016 + 2.818E+014 5.298E-026 8.504E-013 1.028E-019 3.385E-016 4.654E-013 1.445E-018 3.045E-014 5.592E-020 1.331E-021 3.574E-016 + 3.020E+014 8.595E-026 1.248E-012 1.665E-019 5.830E-016 6.619E-013 2.345E-018 3.453E-014 8.330E-020 2.026E-021 3.565E-016 + 3.236E+014 1.383E-025 1.802E-012 2.772E-019 9.973E-016 9.254E-013 3.961E-018 4.008E-014 1.244E-019 3.166E-021 3.596E-016 + 3.467E+014 2.217E-025 2.564E-012 4.642E-019 1.685E-015 1.274E-012 6.823E-018 4.784E-014 1.864E-019 4.989E-021 3.671E-016 + 3.715E+014 3.546E-025 3.597E-012 7.724E-019 2.805E-015 1.727E-012 1.181E-017 5.882E-014 2.804E-019 7.835E-021 3.789E-016 + 3.981E+014 5.668E-025 4.977E-012 1.269E-018 4.589E-015 2.310E-012 2.038E-017 7.429E-014 4.229E-019 1.218E-020 3.943E-016 + 4.266E+014 9.052E-025 6.795E-012 2.053E-018 7.382E-015 3.048E-012 3.488E-017 9.591E-014 6.386E-019 1.866E-020 4.127E-016 + 4.571E+014 1.444E-024 9.157E-012 3.266E-018 1.168E-014 3.971E-012 5.910E-017 1.258E-013 9.636E-019 2.812E-020 4.336E-016 + 4.898E+014 2.296E-024 1.218E-011 5.106E-018 1.818E-014 5.108E-012 9.908E-017 1.667E-013 1.449E-018 4.163E-020 4.561E-016 + 5.248E+014 3.633E-024 1.601E-011 7.843E-018 2.786E-014 6.487E-012 1.642E-016 2.220E-013 2.169E-018 6.050E-020 4.796E-016 + 5.623E+014 5.704E-024 2.077E-011 1.184E-017 4.208E-014 8.134E-012 2.692E-016 2.960E-013 3.222E-018 8.626E-020 5.034E-016 + 6.026E+014 8.864E-024 2.661E-011 1.754E-017 6.263E-014 1.007E-011 4.364E-016 3.942E-013 4.745E-018 1.205E-019 5.266E-016 + 6.457E+014 1.359E-023 3.366E-011 2.554E-017 9.191E-014 1.229E-011 6.993E-016 5.232E-013 6.915E-018 1.650E-019 5.482E-016 + 6.918E+014 2.051E-023 4.203E-011 3.649E-017 1.330E-013 1.480E-011 1.108E-015 6.907E-013 9.959E-018 2.210E-019 5.671E-016 + 7.413E+014 3.037E-023 5.177E-011 5.118E-017 1.898E-013 1.757E-011 1.733E-015 9.060E-013 1.416E-017 2.893E-019 5.824E-016 + 7.943E+014 4.402E-023 6.288E-011 7.039E-017 2.672E-013 2.054E-011 2.679E-015 1.179E-012 1.985E-017 3.696E-019 5.927E-016 + 8.511E+014 6.231E-023 7.525E-011 9.488E-017 3.707E-013 2.363E-011 4.084E-015 1.522E-012 2.741E-017 4.604E-019 5.970E-016 + 9.120E+014 8.598E-023 8.867E-011 1.253E-016 5.071E-013 2.673E-011 6.141E-015 1.945E-012 3.724E-017 5.580E-019 5.943E-016 + 9.772E+014 1.154E-022 1.028E-010 1.619E-016 6.836E-013 2.971E-011 9.094E-015 2.458E-012 4.974E-017 6.574E-019 5.841E-016 + 1.047E+015 1.505E-022 1.171E-010 2.046E-016 9.078E-013 3.243E-011 1.325E-014 3.070E-012 6.524E-017 7.518E-019 5.662E-016 + 1.122E+015 1.903E-022 1.311E-010 2.528E-016 1.187E-012 3.475E-011 1.899E-014 3.785E-012 8.397E-017 8.338E-019 5.410E-016 + 1.202E+015 2.329E-022 1.441E-010 3.053E-016 1.527E-012 3.655E-011 2.672E-014 4.604E-012 1.060E-016 8.967E-019 5.097E-016 + 1.288E+015 2.757E-022 1.557E-010 3.604E-016 1.930E-012 3.774E-011 3.691E-014 5.522E-012 1.314E-016 9.357E-019 4.741E-016 + 1.380E+015 3.156E-022 1.653E-010 4.161E-016 2.398E-012 3.830E-011 5.004E-014 6.531E-012 1.598E-016 9.488E-019 4.361E-016 + 1.479E+015 3.494E-022 1.728E-010 4.701E-016 2.926E-012 3.823E-011 6.658E-014 7.619E-012 1.912E-016 9.370E-019 3.979E-016 + 1.585E+015 3.745E-022 1.781E-010 5.199E-016 3.505E-012 3.756E-011 8.695E-014 8.769E-012 2.255E-016 9.034E-019 3.612E-016 + 1.698E+015 3.892E-022 1.813E-010 5.633E-016 4.122E-012 3.638E-011 1.115E-013 9.961E-012 2.626E-016 8.522E-019 3.272E-016 + 1.820E+015 3.925E-022 1.827E-010 5.977E-016 4.761E-012 3.475E-011 1.406E-013 1.117E-011 3.025E-016 7.882E-019 2.963E-016 + 1.950E+015 3.848E-022 1.823E-010 6.212E-016 5.405E-012 3.273E-011 1.743E-013 1.234E-011 3.449E-016 7.153E-019 2.684E-016 + 2.089E+015 3.670E-022 1.805E-010 6.319E-016 6.034E-012 3.042E-011 2.124E-013 1.345E-011 3.894E-016 6.373E-019 2.429E-016 + 2.239E+015 3.408E-022 1.771E-010 6.285E-016 6.630E-012 2.788E-011 2.545E-013 1.441E-011 4.349E-016 5.572E-019 2.192E-016 + 2.399E+015 3.084E-022 1.724E-010 6.106E-016 7.174E-012 2.519E-011 2.997E-013 1.517E-011 4.797E-016 4.776E-019 1.966E-016 + 2.570E+015 2.721E-022 1.662E-010 5.785E-016 7.652E-012 2.241E-011 3.467E-013 1.567E-011 5.216E-016 4.010E-019 1.745E-016 + 2.754E+015 2.341E-022 1.585E-010 5.338E-016 8.051E-012 1.962E-011 3.939E-013 1.584E-011 5.579E-016 3.292E-019 1.528E-016 + 2.951E+015 1.966E-022 1.494E-010 4.789E-016 8.360E-012 1.689E-011 4.390E-013 1.565E-011 5.855E-016 2.640E-019 1.315E-016 + 3.162E+015 1.611E-022 1.387E-010 4.171E-016 8.574E-012 1.428E-011 4.797E-013 1.507E-011 6.016E-016 2.064E-019 1.107E-016 + 3.388E+015 1.289E-022 1.267E-010 3.519E-016 8.690E-012 1.184E-011 5.138E-013 1.414E-011 6.038E-016 1.571E-019 9.097E-017 + 3.631E+015 1.006E-022 1.135E-010 2.872E-016 8.709E-012 9.611E-012 5.390E-013 1.290E-011 5.909E-016 1.163E-019 7.267E-017 + 3.890E+015 7.660E-023 9.930E-011 2.263E-016 8.634E-012 7.631E-012 5.535E-013 1.144E-011 5.629E-016 8.358E-020 5.629E-017 + 4.169E+015 5.675E-023 8.467E-011 1.718E-016 8.471E-012 5.916E-012 5.561E-013 9.847E-012 5.212E-016 5.826E-020 4.217E-017 + 4.467E+015 4.084E-023 7.011E-011 1.254E-016 8.228E-012 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2.079E-013 1.179E-012 7.062E-017 4.898E-022 4.968E-019 + 8.318E+015 3.251E-025 1.988E-012 8.465E-019 4.133E-012 8.598E-014 1.656E-013 1.025E-012 5.000E-017 2.417E-022 2.386E-019 + 8.913E+015 1.426E-025 1.025E-012 3.627E-019 3.649E-012 4.649E-014 1.288E-013 9.374E-013 3.482E-017 1.158E-022 1.083E-019 + 9.550E+015 5.794E-026 4.961E-013 1.450E-019 3.186E-012 2.451E-014 9.785E-014 8.923E-013 2.392E-017 5.436E-023 4.635E-020 + 1.023E+016 2.169E-026 2.247E-013 5.394E-020 2.750E-012 1.276E-014 7.256E-014 8.725E-013 1.622E-017 2.531E-023 1.864E-020 + 1.096E+016 7.433E-027 9.520E-014 1.867E-020 2.346E-012 6.683E-015 5.253E-014 8.664E-013 1.087E-017 1.192E-023 7.025E-021 + 1.175E+016 2.323E-027 3.774E-014 6.041E-021 1.975E-012 3.601E-015 3.714E-014 8.670E-013 7.205E-018 5.799E-024 2.478E-021 + 1.259E+016 6.599E-028 1.403E-014 1.855E-021 1.640E-012 2.030E-015 2.564E-014 8.701E-013 4.715E-018 2.965E-024 8.191E-022 + 1.349E+016 1.710E-028 4.921E-015 5.639E-022 1.343E-012 1.201E-015 1.729E-014 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4.697E-035 9.860E-032 1.923E-031 9.347E-034 2.750E-036 4.940E-025 5.142E-004 4.998E-001 + 6.457E+017 1.780E-035 3.826E-032 8.571E-032 5.274E-034 6.833E-037 2.134E-025 5.143E-004 4.998E-001 + 6.918E+017 6.465E-036 1.487E-032 3.824E-032 2.878E-034 1.628E-037 8.847E-026 5.144E-004 4.998E-001 + 7.413E+017 2.249E-036 5.777E-033 1.706E-032 1.516E-034 3.708E-038 3.508E-026 5.146E-004 4.998E-001 + 7.943E+017 7.489E-037 2.236E-033 7.586E-033 7.708E-035 8.054E-039 1.327E-026 5.148E-004 4.998E-001 + 8.511E+017 2.384E-037 8.587E-034 3.344E-033 3.779E-035 1.663E-039 4.774E-027 5.150E-004 4.998E-001 + 9.120E+017 7.251E-038 3.250E-034 1.453E-033 1.789E-035 3.252E-040 1.627E-027 5.152E-004 4.998E-001 + 9.772E+017 2.104E-038 1.207E-034 6.187E-034 8.213E-036 6.007E-041 5.236E-028 5.155E-004 4.998E-001 + 1.047E+018 5.824E-039 4.380E-035 2.576E-034 3.684E-036 1.046E-041 1.584E-028 5.157E-004 4.998E-001 + RADIUS C10H3+ HC9N H2C9N+ H3C9N+ C11 C11+ e- H2 + + + diff --git a/data/train/20211014_gridC_Mdot1e-7_v15_T_eps_model_2022-12-28h15-08-21/csphyspar_smooth.out b/data/train/20211014_gridC_Mdot1e-7_v15_T_eps_model_2022-12-28h15-08-21/csphyspar_smooth.out new file mode 100644 index 0000000..8303fdc --- /dev/null +++ b/data/train/20211014_gridC_Mdot1e-7_v15_T_eps_model_2022-12-28h15-08-21/csphyspar_smooth.out @@ -0,0 +1,139 @@ + ** PHYSICAL PARAMETERS ** + + + RADIUS n(Htot) TEMP A_UV EFF RAD. EFF C K(PH) C K(IP) C K(AP) CO K(PH) CO K(IP) CO K(AP) DELTA_AUV + 1.000E+014 1.503E+007 8.589E+002 3.737E+000 6.138E-003 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 5.605E+000 + 1.072E+014 1.309E+007 8.184E+002 3.487E+000 8.243E-003 1.633E-012 0.000E+000 0.000E+000 2.315E-015 0.000E+000 0.000E+000 5.855E+000 + 1.148E+014 1.140E+007 7.798E+002 3.255E+000 1.088E-002 2.241E-012 0.000E+000 0.000E+000 3.279E-015 0.000E+000 0.000E+000 6.087E+000 + 1.230E+014 9.929E+006 7.430E+002 3.037E+000 1.412E-002 3.037E-012 0.000E+000 0.000E+000 4.603E-015 0.000E+000 0.000E+000 6.305E+000 + 1.318E+014 8.647E+006 7.079E+002 2.835E+000 1.805E-002 3.982E-012 0.000E+000 0.000E+000 6.258E-015 0.000E+000 0.000E+000 6.507E+000 + 1.413E+014 7.532E+006 6.745E+002 2.645E+000 2.274E-002 5.171E-012 0.000E+000 0.000E+000 8.451E-015 0.000E+000 0.000E+000 6.697E+000 + 1.514E+014 6.560E+006 6.426E+002 2.469E+000 2.828E-002 6.678E-012 0.000E+000 0.000E+000 1.139E-014 0.000E+000 0.000E+000 6.873E+000 + 1.622E+014 5.713E+006 6.123E+002 2.304E+000 3.471E-002 8.479E-012 0.000E+000 0.000E+000 1.513E-014 0.000E+000 0.000E+000 7.038E+000 + 1.738E+014 4.976E+006 5.834E+002 2.150E+000 4.211E-002 1.061E-011 0.000E+000 0.000E+000 1.984E-014 0.000E+000 0.000E+000 7.192E+000 + 1.862E+014 4.334E+006 5.559E+002 2.007E+000 5.052E-002 1.302E-011 0.000E+000 0.000E+000 2.551E-014 0.000E+000 0.000E+000 7.335E+000 + 1.995E+014 3.775E+006 5.296E+002 1.873E+000 5.998E-002 1.548E-011 0.000E+000 0.000E+000 3.169E-014 0.000E+000 0.000E+000 7.469E+000 + 2.138E+014 3.288E+006 5.046E+002 1.748E+000 7.051E-002 1.902E-011 0.000E+000 0.000E+000 4.118E-014 0.000E+000 0.000E+000 7.594E+000 + 2.291E+014 2.863E+006 4.808E+002 1.631E+000 8.212E-002 2.242E-011 0.000E+000 0.000E+000 5.101E-014 0.000E+000 0.000E+000 7.711E+000 + 2.455E+014 2.494E+006 4.581E+002 1.522E+000 9.481E-002 2.597E-011 0.000E+000 0.000E+000 6.195E-014 0.000E+000 0.000E+000 7.820E+000 + 2.630E+014 2.172E+006 4.365E+002 1.421E+000 1.086E-001 3.013E-011 0.000E+000 0.000E+000 7.571E-014 0.000E+000 0.000E+000 7.921E+000 + 2.818E+014 1.892E+006 4.159E+002 1.326E+000 1.233E-001 3.482E-011 0.000E+000 0.000E+000 9.243E-014 0.000E+000 0.000E+000 8.016E+000 + 3.020E+014 1.648E+006 3.962E+002 1.237E+000 1.391E-001 3.984E-011 0.000E+000 0.000E+000 1.117E-013 0.000E+000 0.000E+000 8.105E+000 + 3.236E+014 1.435E+006 3.775E+002 1.155E+000 1.558E-001 4.523E-011 0.000E+000 0.000E+000 1.342E-013 0.000E+000 0.000E+000 8.187E+000 + 3.467E+014 1.250E+006 3.597E+002 1.078E+000 1.734E-001 5.197E-011 0.000E+000 0.000E+000 1.648E-013 0.000E+000 0.000E+000 8.264E+000 + 3.715E+014 1.089E+006 3.427E+002 1.006E+000 1.917E-001 5.736E-011 0.000E+000 0.000E+000 1.915E-013 0.000E+000 0.000E+000 8.336E+000 + 3.981E+014 9.482E+005 3.266E+002 9.386E-001 2.108E-001 6.387E-011 0.000E+000 0.000E+000 2.263E-013 0.000E+000 0.000E+000 8.403E+000 + 4.266E+014 8.258E+005 3.111E+002 8.760E-001 2.306E-001 6.997E-011 0.000E+000 0.000E+000 2.618E-013 0.000E+000 0.000E+000 8.466E+000 + 4.571E+014 7.193E+005 2.965E+002 8.175E-001 2.509E-001 7.684E-011 0.000E+000 0.000E+000 3.050E-013 0.000E+000 0.000E+000 8.524E+000 + 4.898E+014 6.264E+005 2.825E+002 7.630E-001 2.717E-001 8.510E-011 0.000E+000 0.000E+000 3.622E-013 0.000E+000 0.000E+000 8.579E+000 + 5.248E+014 5.456E+005 2.691E+002 7.120E-001 2.929E-001 9.218E-011 0.000E+000 0.000E+000 4.161E-013 0.000E+000 0.000E+000 8.630E+000 + 5.623E+014 4.752E+005 2.564E+002 6.645E-001 3.145E-001 9.896E-011 0.000E+000 0.000E+000 4.722E-013 0.000E+000 0.000E+000 8.677E+000 + 6.026E+014 4.139E+005 2.443E+002 6.202E-001 3.362E-001 1.070E-010 0.000E+000 0.000E+000 5.450E-013 0.000E+000 0.000E+000 8.722E+000 + 6.457E+014 3.605E+005 2.328E+002 5.788E-001 3.582E-001 1.146E-010 0.000E+000 0.000E+000 6.204E-013 0.000E+000 0.000E+000 8.763E+000 + 6.918E+014 3.140E+005 2.218E+002 5.401E-001 3.802E-001 1.222E-010 0.000E+000 0.000E+000 7.031E-013 0.000E+000 0.000E+000 8.802E+000 + 7.413E+014 2.735E+005 2.113E+002 5.041E-001 4.022E-001 1.302E-010 0.000E+000 0.000E+000 7.989E-013 0.000E+000 0.000E+000 8.838E+000 + 7.943E+014 2.382E+005 2.014E+002 4.704E-001 4.242E-001 1.377E-010 0.000E+000 0.000E+000 8.971E-013 0.000E+000 0.000E+000 8.872E+000 + 8.511E+014 2.074E+005 1.919E+002 4.390E-001 4.460E-001 1.459E-010 0.000E+000 0.000E+000 1.015E-012 0.000E+000 0.000E+000 8.903E+000 + 9.120E+014 1.807E+005 1.828E+002 4.097E-001 4.677E-001 1.539E-010 0.000E+000 0.000E+000 1.144E-012 0.000E+000 0.000E+000 8.932E+000 + 9.772E+014 1.574E+005 1.742E+002 3.824E-001 4.891E-001 1.620E-010 0.000E+000 0.000E+000 1.289E-012 0.000E+000 0.000E+000 8.960E+000 + 1.047E+015 1.371E+005 1.659E+002 3.569E-001 5.101E-001 1.695E-010 0.000E+000 0.000E+000 1.436E-012 0.000E+000 0.000E+000 8.985E+000 + 1.122E+015 1.194E+005 1.581E+002 3.330E-001 5.309E-001 1.772E-010 0.000E+000 0.000E+000 1.605E-012 0.000E+000 0.000E+000 9.009E+000 + 1.202E+015 1.040E+005 1.506E+002 3.108E-001 5.512E-001 1.834E-010 0.000E+000 0.000E+000 1.752E-012 0.000E+000 0.000E+000 9.031E+000 + 1.288E+015 9.055E+004 1.435E+002 2.901E-001 5.711E-001 1.910E-010 0.000E+000 0.000E+000 1.953E-012 0.000E+000 0.000E+000 9.052E+000 + 1.380E+015 7.887E+004 1.368E+002 2.707E-001 5.905E-001 1.984E-010 0.000E+000 0.000E+000 2.173E-012 0.000E+000 0.000E+000 9.071E+000 + 1.479E+015 6.869E+004 1.303E+002 2.526E-001 6.094E-001 2.053E-010 0.000E+000 0.000E+000 2.400E-012 0.000E+000 0.000E+000 9.089E+000 + 1.585E+015 5.983E+004 1.242E+002 2.358E-001 6.278E-001 2.116E-010 0.000E+000 0.000E+000 2.630E-012 0.000E+000 0.000E+000 9.106E+000 + 1.698E+015 5.211E+004 1.183E+002 2.200E-001 6.456E-001 2.187E-010 0.000E+000 0.000E+000 2.921E-012 0.000E+000 0.000E+000 9.122E+000 + 1.820E+015 4.538E+004 1.127E+002 2.054E-001 6.628E-001 2.251E-010 0.000E+000 0.000E+000 3.215E-012 0.000E+000 0.000E+000 9.137E+000 + 1.950E+015 3.953E+004 1.074E+002 1.916E-001 6.795E-001 2.308E-010 0.000E+000 0.000E+000 3.508E-012 0.000E+000 0.000E+000 9.150E+000 + 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9.772E+017 1.574E-001 1.000E+001 3.824E-004 9.991E-001 3.497E-010 0.000E+000 0.000E+000 2.395E-010 0.000E+000 0.000E+000 9.342E+000 + 1.047E+018 1.371E-001 1.000E+001 3.569E-004 9.991E-001 3.497E-010 0.000E+000 0.000E+000 2.396E-010 0.000E+000 0.000E+000 9.342E+000 diff --git a/data/train/20211014_gridC_Mdot1e-7_v15_T_eps_model_2022-12-28h15-08-21/inputChemistry_model_2022-12-28h15-08-21.txt b/data/train/20211014_gridC_Mdot1e-7_v15_T_eps_model_2022-12-28h15-08-21/inputChemistry_model_2022-12-28h15-08-21.txt new file mode 100644 index 0000000..236f0ad --- /dev/null +++ b/data/train/20211014_gridC_Mdot1e-7_v15_T_eps_model_2022-12-28h15-08-21/inputChemistry_model_2022-12-28h15-08-21.txt @@ -0,0 +1,57 @@ +! INPUT PARAMETERS FOR THE RATE13_CSE_MODEL +! +! PHYSICAL PARAMETERS OF THE CIRCUMSTELLAR ENVELOPE +R_STAR = 20000000000000 +T_STAR = 2650.0 +MLOSS = 1e-07 +VELOCITY = 1500000 +TEMPMODE = EPSILON +EPSILON_TEMP_LAW = 0.7 +R_EPSIL = 20000000000000 +! +! GRAIN PARAMETERS FOR H2 FORMATION AND CR IONISATION +A_G = 1e-05 +X_G = 1.5e-12 +ALBEDO = 0.5 +ZETA = 1 +GAMCO = 3 +AUV_AV = 4.65 +! +! RADIUS INFORMATION +R_INNER_CHEM = 100000000000000 +R_OUTER_CHEM = 1000000000000000000 +RESOLUTION = 0.03 +! +! ANALYSE SUBROUTINE +PERFORM_ROUTINE = 0 +ROUTINE_RADIUS = 0 +FULL_ANALYSIS = 0 +SENSITIVITY = 0 +! +! DVODE +RTOL = 1e-05 +ATOL = 1e-25 +! +! CLUMPING PARAMETERS +CLUMPMODE = SMOOTH +FVOL = 0 +L = 0 +FIC = 0 +! +! INNER PHOTONS +ISTELLAR = 0 +IBIN = 0 +RSCALE = 50 +RDUST = 2 +TBIN = 6000 +RBIN = 0 +! +! SHIELDING FUNCTIONS CO AND N2 +FILECO = "/lhome/silkem/CHEM/src-IP-AP-HNR/shielding/co/shield.03.5.69-557-36.dat" +FILEN2 = "/lhome/silkem/CHEM/src-IP-AP-HNR/n2/Tex_10K_bH2_3km.s-1_bH_5km.s-1_NH_1e+20cm-2.dat" +! INPUT AND OUTPUT FILE NAMES +REACTIONS_FILE = "/lhome/silkem/CHEM/src-IP-AP-HNR/rates/rate16_IP_2330K_AP_6000K_corrected.rates" +SPECIES_FILE = "/lhome/silkem/CHEM/src-IP-AP-HNR/specs/rate16_IP_6000K_Crich_mean_Htot.specs" +! OUTPUT FILES CSFRAC_NAME.OUT AND CSNUM_NAME.OUT FOR FRACTIONAL ABUNDANCES AND NUMBER DENSITIES +OUTPUT_FOLDER = "/lhome/silkem/CHEM/Output_nov2022/20211014_gridC_Mdot1e-7_v15_T_eps/models/model_2022-12-28h15-08-21/" +SRC_CHEMISTRY = "src-IP-AP-HNR/" \ No newline at end of file diff --git a/data/train/20211014_gridC_Mdot2e-7_v7-5_T_eps_model_2022-12-23h14-08-04/csfrac_smooth.out b/data/train/20211014_gridC_Mdot2e-7_v7-5_T_eps_model_2022-12-23h14-08-04/csfrac_smooth.out new file mode 100644 index 0000000..bfbf5a9 --- /dev/null +++ b/data/train/20211014_gridC_Mdot2e-7_v7-5_T_eps_model_2022-12-23h14-08-04/csfrac_smooth.out @@ -0,0 +1,6583 @@ + ** CALCULATED FRACTIONAL ABUNDANCES (/H2) ** + + + RADIUS H H+ H- H2+ H3+ He He+ HeH+ C- C+ + 1.000E+014 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 8.500E-002 0.000E+000 0.000E+000 0.000E+000 0.000E+000 + 1.072E+014 2.336E-010 1.191E-014 2.808E-016 1.089E-016 1.048E-013 8.500E-002 1.246E-014 1.605E-018 3.369E-023 2.427E-014 + 1.148E+014 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1.245E-036 1.208E-036 4.255E-023 1.079E-020 + 1.230E+017 8.545E-021 4.589E-035 6.841E-020 1.477E-025 3.236E-031 8.846E-027 9.075E-037 7.942E-037 3.776E-023 1.172E-020 + 1.318E+017 6.437E-021 3.033E-035 5.940E-020 1.127E-025 2.413E-031 8.714E-027 6.608E-037 5.220E-037 3.359E-023 1.267E-020 + 1.413E+017 4.833E-021 1.998E-035 5.151E-020 8.616E-026 1.801E-031 8.570E-027 4.814E-037 3.430E-037 3.002E-023 1.363E-020 + 1.514E+017 3.620E-021 1.314E-035 4.461E-020 6.601E-026 1.344E-031 8.411E-027 3.514E-037 2.252E-037 2.702E-023 1.461E-020 + 1.622E+017 2.706E-021 8.639E-036 3.858E-020 5.077E-026 1.002E-031 8.236E-027 2.574E-037 1.478E-037 2.456E-023 1.557E-020 + 1.738E+017 2.019E-021 5.690E-036 3.331E-020 3.926E-026 7.476E-032 8.045E-027 1.895E-037 9.689E-038 2.260E-023 1.650E-020 + 1.862E+017 1.505E-021 3.760E-036 2.872E-020 3.056E-026 5.572E-032 7.836E-027 1.403E-037 6.347E-038 2.112E-023 1.739E-020 + 1.995E+017 1.120E-021 2.496E-036 2.472E-020 2.397E-026 4.150E-032 7.610E-027 1.047E-037 4.154E-038 2.008E-023 1.821E-020 + 2.138E+017 8.323E-022 1.667E-036 2.124E-020 1.896E-026 3.087E-032 7.366E-027 7.879E-038 2.716E-038 1.946E-023 1.893E-020 + 2.291E+017 6.180E-022 1.120E-036 1.821E-020 1.513E-026 2.293E-032 7.104E-027 5.978E-038 1.774E-038 1.924E-023 1.953E-020 + 2.455E+017 4.585E-022 7.574E-037 1.558E-020 1.218E-026 1.700E-032 6.825E-027 4.573E-038 1.157E-038 1.942E-023 1.999E-020 + 2.630E+017 3.398E-022 5.151E-037 1.330E-020 9.889E-027 1.258E-032 6.531E-027 3.525E-038 7.532E-039 1.998E-023 2.028E-020 + 2.818E+017 2.516E-022 3.520E-037 1.132E-020 8.097E-027 9.291E-033 6.224E-027 2.735E-038 4.897E-039 2.092E-023 2.039E-020 + 3.020E+017 1.861E-022 2.413E-037 9.606E-021 6.679E-027 6.844E-033 5.904E-027 2.131E-038 3.178E-039 2.226E-023 2.029E-020 + 3.236E+017 1.375E-022 1.657E-037 8.127E-021 5.545E-027 5.026E-033 5.576E-027 1.666E-038 2.059E-039 2.400E-023 1.997E-020 + 3.467E+017 1.015E-022 1.138E-037 6.851E-021 4.629E-027 3.680E-033 5.242E-027 1.304E-038 1.330E-039 2.617E-023 1.942E-020 + 3.715E+017 7.477E-023 7.800E-038 5.754E-021 3.881E-027 2.685E-033 4.905E-027 1.019E-038 8.575E-040 2.878E-023 1.865E-020 + 3.981E+017 5.502E-023 5.326E-038 4.814E-021 3.264E-027 1.952E-033 4.568E-027 7.945E-039 5.513E-040 3.187E-023 1.767E-020 + 4.266E+017 4.042E-023 3.618E-038 4.010E-021 2.752E-027 1.413E-033 4.235E-027 6.166E-039 3.533E-040 3.547E-023 1.649E-020 + 4.571E+017 2.963E-023 2.441E-038 3.324E-021 2.323E-027 1.019E-033 3.908E-027 4.756E-039 2.257E-040 3.962E-023 1.516E-020 + 4.898E+017 2.168E-023 1.633E-038 2.743E-021 1.962E-027 7.313E-034 3.591E-027 3.642E-039 1.438E-040 4.437E-023 1.369E-020 + 5.248E+017 1.582E-023 1.083E-038 2.252E-021 1.657E-027 5.222E-034 3.286E-027 2.764E-039 9.113E-041 4.976E-023 1.214E-020 + 5.623E+017 1.152E-023 7.111E-039 1.839E-021 1.399E-027 3.711E-034 2.994E-027 2.077E-039 5.757E-041 5.585E-023 1.056E-020 + 6.026E+017 8.360E-024 4.617E-039 1.494E-021 1.179E-027 2.623E-034 2.718E-027 1.545E-039 3.621E-041 6.270E-023 8.987E-021 + 6.457E+017 6.048E-024 2.964E-039 1.206E-021 9.927E-028 1.844E-034 2.459E-027 1.137E-039 2.268E-041 7.037E-023 7.479E-021 + 6.918E+017 4.360E-024 1.880E-039 9.689E-022 8.340E-028 1.289E-034 2.217E-027 8.259E-040 1.416E-041 7.893E-023 6.075E-021 + 7.413E+017 3.130E-024 1.178E-039 7.737E-022 6.992E-028 8.967E-035 1.992E-027 5.938E-040 8.785E-042 8.847E-023 4.808E-021 + 7.943E+017 2.238E-024 7.291E-040 6.143E-022 5.849E-028 6.201E-035 1.786E-027 4.215E-040 5.432E-042 9.906E-023 3.701E-021 + 8.511E+017 1.593E-024 4.457E-040 4.849E-022 4.880E-028 4.264E-035 1.596E-027 2.956E-040 3.344E-042 1.108E-022 2.765E-021 + 9.120E+017 1.129E-024 2.692E-040 3.807E-022 4.062E-028 2.916E-035 1.424E-027 2.048E-040 2.051E-042 1.238E-022 2.002E-021 + 9.772E+017 7.958E-025 1.607E-040 2.972E-022 3.373E-028 1.983E-035 1.267E-027 1.402E-040 1.252E-042 1.382E-022 1.401E-021 + 1.047E+018 5.581E-025 9.477E-041 2.307E-022 2.793E-028 1.342E-035 1.126E-027 9.493E-041 7.622E-043 1.541E-022 9.460E-022 + RADIUS NO2 CH3OCH3 H2CS+ HCOOH PCH3+ H2SiO+ CH3OCH3+ C2H5OH NO2+ HPN+ + + + + RADIUS CH3OCH4+ SiF+ PNH2+ CCl H3CS+ PO+ CCl+ HNS+ PCH4+ HCOOH2+ + 1.000E+014 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 + 1.072E+014 2.364E-029 4.183E-016 5.741E-021 3.535E-020 1.495E-015 5.040E-020 1.141E-015 1.059E-025 6.225E-023 6.072E-017 + 1.148E+014 1.964E-028 1.071E-015 1.229E-020 2.914E-019 3.209E-015 1.088E-019 2.614E-015 4.229E-025 1.416E-022 1.276E-016 + 1.230E+014 6.403E-028 1.810E-015 1.916E-020 9.945E-019 5.009E-015 1.719E-019 4.479E-015 1.066E-024 2.298E-022 1.984E-016 + 1.318E+014 1.406E-027 2.636E-015 2.627E-020 2.357E-018 6.862E-015 2.398E-019 6.807E-015 2.267E-024 3.263E-022 2.724E-016 + 1.413E+014 2.458E-027 3.555E-015 3.353E-020 4.556E-018 8.743E-015 3.126E-019 9.662E-015 4.389E-024 4.311E-022 3.491E-016 + 1.514E+014 3.683E-027 4.576E-015 4.088E-020 7.721E-018 1.063E-014 3.905E-019 1.309E-014 7.953E-024 5.441E-022 4.279E-016 + 1.622E+014 4.925E-027 5.710E-015 4.829E-020 1.192E-017 1.252E-014 4.736E-019 1.713E-014 1.370E-023 6.656E-022 5.087E-016 + 1.738E+014 6.033E-027 6.968E-015 5.575E-020 1.718E-017 1.440E-014 5.624E-019 2.177E-014 2.267E-023 7.962E-022 5.915E-016 + 1.862E+014 6.896E-027 8.360E-015 6.325E-020 2.345E-017 1.627E-014 6.571E-019 2.699E-014 3.643E-023 9.367E-022 6.766E-016 + 1.995E+014 7.465E-027 9.904E-015 7.081E-020 3.068E-017 1.813E-014 7.581E-019 3.275E-014 5.740E-023 1.088E-021 7.641E-016 + 2.138E+014 7.748E-027 1.162E-014 7.842E-020 3.879E-017 1.998E-014 8.658E-019 3.898E-014 8.945E-023 1.252E-021 8.542E-016 + 2.291E+014 7.798E-027 1.352E-014 8.609E-020 4.774E-017 2.183E-014 9.804E-019 4.561E-014 1.390E-022 1.428E-021 9.470E-016 + 2.455E+014 7.690E-027 1.565E-014 9.378E-020 5.753E-017 2.366E-014 1.102E-018 5.258E-014 2.167E-022 1.617E-021 1.042E-015 + 2.630E+014 7.500E-027 1.806E-014 1.014E-019 6.823E-017 2.546E-014 1.231E-018 5.979E-014 3.405E-022 1.818E-021 1.137E-015 + 2.818E+014 7.294E-027 2.082E-014 1.086E-019 8.000E-017 2.719E-014 1.367E-018 6.712E-014 5.401E-022 2.028E-021 1.231E-015 + 3.020E+014 7.123E-027 2.404E-014 1.153E-019 9.315E-017 2.879E-014 1.508E-018 7.440E-014 8.646E-022 2.240E-021 1.317E-015 + 3.236E+014 7.024E-027 2.796E-014 1.207E-019 1.082E-016 3.024E-014 1.652E-018 8.137E-014 1.394E-021 2.442E-021 1.388E-015 + 3.467E+014 7.037E-027 3.297E-014 1.243E-019 1.257E-016 3.155E-014 1.794E-018 8.767E-014 2.258E-021 2.619E-021 1.434E-015 + 3.715E+014 7.239E-027 3.987E-014 1.251E-019 1.468E-016 3.292E-014 1.930E-018 9.284E-014 3.670E-021 2.749E-021 1.444E-015 + 3.981E+014 7.788E-027 5.014E-014 1.227E-019 1.726E-016 3.493E-014 2.051E-018 9.632E-014 5.988E-021 2.811E-021 1.409E-015 + 4.266E+014 9.002E-027 6.653E-014 1.169E-019 2.053E-016 3.883E-014 2.151E-018 9.762E-014 9.832E-021 2.793E-021 1.329E-015 + 4.571E+014 1.144E-026 9.400E-014 1.084E-019 2.479E-016 4.693E-014 2.224E-018 9.638E-014 1.633E-020 2.705E-021 1.213E-015 + 4.898E+014 1.603E-026 1.411E-013 9.940E-020 3.067E-016 6.296E-014 2.275E-018 9.264E-014 2.763E-020 2.589E-021 1.083E-015 + 5.248E+014 2.428E-026 2.218E-013 9.348E-020 3.947E-016 9.253E-014 2.330E-018 8.685E-014 4.791E-020 2.529E-021 9.598E-016 + 5.623E+014 3.866E-026 3.589E-013 9.648E-020 5.379E-016 1.437E-013 2.458E-018 7.987E-014 8.529E-020 2.662E-021 8.593E-016 + 6.026E+014 6.320E-026 5.871E-013 1.185E-019 7.881E-016 2.281E-013 2.820E-018 7.279E-014 1.554E-019 3.215E-021 7.861E-016 + 6.457E+014 1.045E-025 9.587E-013 1.788E-019 1.242E-015 3.619E-013 3.774E-018 6.667E-014 2.875E-019 4.579E-021 7.371E-016 + 6.918E+014 1.731E-025 1.550E-012 3.149E-019 2.073E-015 5.681E-013 6.082E-018 6.240E-014 5.346E-019 7.456E-021 7.067E-016 + 7.413E+014 2.858E-025 2.470E-012 5.988E-019 3.579E-015 8.784E-013 1.134E-017 6.073E-014 9.899E-019 1.310E-020 6.899E-016 + 7.943E+014 4.689E-025 3.868E-012 1.165E-018 6.258E-015 1.335E-012 2.283E-017 6.240E-014 1.813E-018 2.368E-020 6.834E-016 + 8.511E+014 7.630E-025 5.950E-012 2.252E-018 1.091E-014 1.993E-012 4.714E-017 6.840E-014 3.269E-018 4.281E-020 6.847E-016 + 9.120E+014 1.231E-024 8.982E-012 4.275E-018 1.880E-014 2.922E-012 9.729E-017 8.021E-014 5.788E-018 7.628E-020 6.921E-016 + 9.772E+014 1.970E-024 1.330E-011 7.922E-018 3.185E-014 4.203E-012 1.984E-016 1.002E-013 1.005E-017 1.329E-019 7.040E-016 + 1.047E+015 3.129E-024 1.932E-011 1.429E-017 5.298E-014 5.927E-012 3.979E-016 1.317E-013 1.711E-017 2.254E-019 7.189E-016 + 1.122E+015 4.937E-024 2.749E-011 2.503E-017 8.651E-014 8.183E-012 7.833E-016 1.800E-013 2.857E-017 3.707E-019 7.348E-016 + 1.202E+015 7.733E-024 3.826E-011 4.252E-017 1.388E-013 1.104E-011 1.511E-015 2.518E-013 4.678E-017 5.890E-019 7.495E-016 + 1.288E+015 1.201E-023 5.199E-011 6.990E-017 2.188E-013 1.452E-011 2.855E-015 3.567E-013 7.506E-017 9.006E-019 7.602E-016 + 1.380E+015 1.843E-023 6.881E-011 1.109E-016 3.394E-013 1.855E-011 5.269E-015 5.068E-013 1.180E-016 1.319E-018 7.640E-016 + 1.479E+015 2.785E-023 8.842E-011 1.695E-016 5.174E-013 2.297E-011 9.479E-015 7.166E-013 1.813E-016 1.840E-018 7.580E-016 + 1.585E+015 4.120E-023 1.100E-010 2.486E-016 7.748E-013 2.746E-011 1.658E-014 1.003E-012 2.722E-016 2.435E-018 7.395E-016 + 1.698E+015 5.927E-023 1.321E-010 3.493E-016 1.137E-012 3.163E-011 2.809E-014 1.384E-012 3.981E-016 3.041E-018 7.076E-016 + 1.820E+015 8.227E-023 1.529E-010 4.694E-016 1.631E-012 3.502E-011 4.604E-014 1.877E-012 5.667E-016 3.580E-018 6.628E-016 + 1.950E+015 1.093E-022 1.709E-010 6.032E-016 2.278E-012 3.727E-011 7.287E-014 2.498E-012 7.852E-016 3.974E-018 6.081E-016 + 2.089E+015 1.380E-022 1.850E-010 7.410E-016 3.091E-012 3.816E-011 1.113E-013 3.260E-012 1.061E-015 4.178E-018 5.482E-016 + 2.239E+015 1.644E-022 1.949E-010 8.703E-016 4.062E-012 3.767E-011 1.642E-013 4.168E-012 1.402E-015 4.175E-018 4.875E-016 + 2.399E+015 1.834E-022 2.009E-010 9.755E-016 5.158E-012 3.588E-011 2.337E-013 5.206E-012 1.817E-015 3.975E-018 4.291E-016 + 2.570E+015 1.902E-022 2.033E-010 1.040E-015 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1.280E-033 1.568E-033 6.598E-037 2.604E-037 1.737E-028 5.142E-004 4.998E-001 + 6.457E+017 5.597E-038 4.035E-034 2.803E-033 4.386E-037 4.179E-038 5.211E-029 5.143E-004 4.998E-001 + 6.918E+017 1.832E-038 -5.210E-032 -7.588E-032 2.894E-037 4.107E-039 1.395E-029 5.145E-004 4.998E-001 + 7.413E+017 4.868E-039 1.750E-034 1.152E-034 1.949E-037 8.575E-040 2.756E-030 5.146E-004 4.998E-001 + 7.943E+017 2.279E-039 9.715E-035 8.195E-035 1.354E-037 1.217E-040 6.599E-031 5.148E-004 4.998E-001 + 8.511E+017 1.073E-039 5.483E-035 5.361E-035 9.635E-038 1.816E-041 1.622E-031 5.151E-004 4.998E-001 + 9.120E+017 5.098E-040 3.119E-035 3.521E-035 7.027E-038 3.068E-042 4.314E-032 5.153E-004 4.998E-001 + 9.772E+017 2.448E-040 1.783E-035 2.318E-035 5.250E-038 6.284E-043 1.305E-032 5.156E-004 4.998E-001 + 1.047E+018 1.187E-040 1.024E-035 1.530E-035 4.012E-038 1.585E-043 4.608E-033 5.160E-004 4.998E-001 + RADIUS C10H3+ HC9N H2C9N+ H3C9N+ C11 C11+ e- H2 + + + diff --git a/data/train/20211014_gridC_Mdot2e-7_v7-5_T_eps_model_2022-12-23h14-08-04/csphyspar_smooth.out b/data/train/20211014_gridC_Mdot2e-7_v7-5_T_eps_model_2022-12-23h14-08-04/csphyspar_smooth.out new file mode 100644 index 0000000..2d71cd6 --- /dev/null +++ b/data/train/20211014_gridC_Mdot2e-7_v7-5_T_eps_model_2022-12-23h14-08-04/csphyspar_smooth.out @@ -0,0 +1,139 @@ + ** PHYSICAL PARAMETERS ** + + + RADIUS n(Htot) TEMP A_UV EFF RAD. EFF C K(PH) C K(IP) C K(AP) CO K(PH) CO K(IP) CO K(AP) DELTA_AUV + 1.000E+014 6.011E+007 9.076E+002 1.495E+001 2.838E-008 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 2.242E+001 + 1.072E+014 5.235E+007 8.647E+002 1.395E+001 8.139E-008 2.944E-018 0.000E+000 0.000E+000 4.665E-021 0.000E+000 0.000E+000 2.342E+001 + 1.148E+014 4.560E+007 8.239E+002 1.302E+001 2.184E-007 9.371E-018 0.000E+000 0.000E+000 1.268E-020 0.000E+000 0.000E+000 2.435E+001 + 1.230E+014 3.971E+007 7.850E+002 1.215E+001 5.507E-007 2.725E-017 0.000E+000 0.000E+000 3.218E-020 0.000E+000 0.000E+000 2.522E+001 + 1.318E+014 3.459E+007 7.480E+002 1.134E+001 1.311E-006 7.417E-017 0.000E+000 0.000E+000 7.783E-020 0.000E+000 0.000E+000 2.603E+001 + 1.413E+014 3.013E+007 7.127E+002 1.058E+001 2.955E-006 1.929E-016 0.000E+000 0.000E+000 1.824E-019 0.000E+000 0.000E+000 2.679E+001 + 1.514E+014 2.624E+007 6.790E+002 9.875E+000 6.337E-006 4.708E-016 0.000E+000 0.000E+000 4.074E-019 0.000E+000 0.000E+000 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9.772E+017 6.294E-001 1.000E+001 1.530E-003 9.962E-001 3.486E-010 0.000E+000 0.000E+000 2.385E-010 0.000E+000 0.000E+000 3.737E+001 + 1.047E+018 5.482E-001 1.000E+001 1.427E-003 9.965E-001 3.487E-010 0.000E+000 0.000E+000 2.386E-010 0.000E+000 0.000E+000 3.737E+001 diff --git a/data/train/20211014_gridC_Mdot2e-7_v7-5_T_eps_model_2022-12-23h14-08-04/inputChemistry_model_2022-12-23h14-08-04.txt b/data/train/20211014_gridC_Mdot2e-7_v7-5_T_eps_model_2022-12-23h14-08-04/inputChemistry_model_2022-12-23h14-08-04.txt new file mode 100644 index 0000000..98238f2 --- /dev/null +++ b/data/train/20211014_gridC_Mdot2e-7_v7-5_T_eps_model_2022-12-23h14-08-04/inputChemistry_model_2022-12-23h14-08-04.txt @@ -0,0 +1,57 @@ +! INPUT PARAMETERS FOR THE RATE13_CSE_MODEL +! +! PHYSICAL PARAMETERS OF THE CIRCUMSTELLAR ENVELOPE +R_STAR = 20000000000000 +T_STAR = 2800.0 +MLOSS = 2e-07 +VELOCITY = 750000 +TEMPMODE = EPSILON +EPSILON_TEMP_LAW = 0.7 +R_EPSIL = 20000000000000 +! +! GRAIN PARAMETERS FOR H2 FORMATION AND CR IONISATION +A_G = 1e-05 +X_G = 1.5e-12 +ALBEDO = 0.5 +ZETA = 1 +GAMCO = 3 +AUV_AV = 4.65 +! +! RADIUS INFORMATION +R_INNER_CHEM = 100000000000000 +R_OUTER_CHEM = 1000000000000000000 +RESOLUTION = 0.03 +! +! ANALYSE SUBROUTINE +PERFORM_ROUTINE = 0 +ROUTINE_RADIUS = 0 +FULL_ANALYSIS = 0 +SENSITIVITY = 0 +! +! DVODE +RTOL = 1e-05 +ATOL = 1e-25 +! +! CLUMPING PARAMETERS +CLUMPMODE = SMOOTH +FVOL = 0 +L = 0 +FIC = 0 +! +! INNER PHOTONS +ISTELLAR = 0 +IBIN = 0 +RSCALE = 50 +RDUST = 2 +TBIN = 6000 +RBIN = 0 +! +! SHIELDING FUNCTIONS CO AND N2 +FILECO = "/lhome/silkem/CHEM/src-IP-AP-HNR/shielding/co/shield.03.5.69-557-36.dat" +FILEN2 = "/lhome/silkem/CHEM/src-IP-AP-HNR/n2/Tex_10K_bH2_3km.s-1_bH_5km.s-1_NH_1e+20cm-2.dat" +! INPUT AND OUTPUT FILE NAMES +REACTIONS_FILE = "/lhome/silkem/CHEM/src-IP-AP-HNR/rates/rate16_IP_2330K_AP_6000K_corrected.rates" +SPECIES_FILE = "/lhome/silkem/CHEM/src-IP-AP-HNR/specs/rate16_IP_6000K_Crich_mean_Htot.specs" +! OUTPUT FILES CSFRAC_NAME.OUT AND CSNUM_NAME.OUT FOR FRACTIONAL ABUNDANCES AND NUMBER DENSITIES +OUTPUT_FOLDER = "/lhome/silkem/CHEM/Output_nov2022/20211014_gridC_Mdot2e-7_v7-5_T_eps/models/model_2022-12-23h14-08-04/" +SRC_CHEMISTRY = "src-IP-AP-HNR/" \ No newline at end of file diff --git a/data/train/20211014_gridC_Mdot2e-8_v10_T_eps_model_2022-12-25h13-20-46/csfrac_smooth.out b/data/train/20211014_gridC_Mdot2e-8_v10_T_eps_model_2022-12-25h13-20-46/csfrac_smooth.out new file mode 100644 index 0000000..133b377 --- /dev/null +++ b/data/train/20211014_gridC_Mdot2e-8_v10_T_eps_model_2022-12-25h13-20-46/csfrac_smooth.out @@ -0,0 +1,6583 @@ + ** CALCULATED FRACTIONAL ABUNDANCES (/H2) ** + + + RADIUS H H+ H- H2+ H3+ He He+ HeH+ C- C+ + 1.000E+014 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 8.500E-002 0.000E+000 0.000E+000 0.000E+000 0.000E+000 + 1.072E+014 2.346E-007 1.446E-013 3.605E-015 1.453E-015 1.332E-012 8.500E-002 1.622E-013 2.140E-017 5.148E-019 9.606E-013 + 1.148E+014 5.213E-007 1.641E-013 4.168E-015 1.668E-015 1.518E-012 8.500E-002 1.856E-013 2.457E-017 3.102E-018 1.517E-012 + 1.230E+014 8.631E-007 1.861E-013 4.734E-015 1.915E-015 1.730E-012 8.500E-002 2.124E-013 2.821E-017 8.171E-018 2.312E-012 + 1.318E+014 1.267E-006 2.110E-013 5.357E-015 2.199E-015 1.971E-012 8.500E-002 2.430E-013 3.239E-017 1.560E-017 3.462E-012 + 1.413E+014 1.739E-006 2.393E-013 6.031E-015 2.524E-015 2.245E-012 8.500E-002 2.780E-013 3.719E-017 2.538E-017 5.122E-012 + 1.514E+014 2.286E-006 2.713E-013 6.747E-015 2.898E-015 2.557E-012 8.500E-002 3.180E-013 4.270E-017 3.774E-017 7.506E-012 + 1.622E+014 2.915E-006 3.077E-013 7.494E-015 3.328E-015 2.913E-012 8.500E-002 3.637E-013 4.903E-017 5.317E-017 1.092E-011 + 1.738E+014 3.632E-006 3.490E-013 8.260E-015 3.821E-015 3.317E-012 8.500E-002 4.160E-013 5.629E-017 7.236E-017 1.579E-011 + 1.862E+014 4.444E-006 3.960E-013 9.033E-015 4.387E-015 3.777E-012 8.500E-002 4.757E-013 6.463E-017 9.616E-017 2.272E-011 + 1.995E+014 5.360E-006 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1.402E-037 5.075E-034 3.298E-033 6.024E-035 4.909E-041 1.116E-027 5.154E-004 4.998E-001 + 6.457E+017 4.198E-038 1.928E-034 1.438E-033 2.695E-035 9.176E-042 3.624E-028 5.157E-004 4.998E-001 + 6.918E+017 1.189E-038 7.010E-035 6.000E-034 1.159E-035 1.616E-042 1.108E-028 5.160E-004 4.998E-001 + 7.413E+017 3.182E-039 2.437E-035 2.393E-034 4.820E-036 2.684E-043 3.176E-029 5.163E-004 4.998E-001 + 7.943E+017 8.017E-040 8.125E-036 9.145E-035 1.960E-036 4.160E-044 8.497E-030 5.166E-004 4.998E-001 + 8.511E+017 1.909E-040 2.619E-036 3.377E-035 7.951E-037 6.056E-045 2.113E-030 5.169E-004 4.998E-001 + 9.120E+017 4.326E-041 8.290E-037 1.223E-035 3.315E-037 8.287E-046 4.862E-031 5.173E-004 4.998E-001 + 9.772E+017 9.450E-042 2.643E-037 4.452E-036 1.476E-037 1.073E-046 1.029E-031 5.177E-004 4.998E-001 + 1.047E+018 2.035E-042 8.843E-038 1.695E-036 7.296E-038 1.340E-047 1.997E-032 5.182E-004 4.998E-001 + RADIUS C10H3+ HC9N H2C9N+ H3C9N+ C11 C11+ e- H2 + + + diff --git a/data/train/20211014_gridC_Mdot2e-8_v10_T_eps_model_2022-12-25h13-20-46/csphyspar_smooth.out b/data/train/20211014_gridC_Mdot2e-8_v10_T_eps_model_2022-12-25h13-20-46/csphyspar_smooth.out new file mode 100644 index 0000000..cb50825 --- /dev/null +++ b/data/train/20211014_gridC_Mdot2e-8_v10_T_eps_model_2022-12-25h13-20-46/csphyspar_smooth.out @@ -0,0 +1,139 @@ + ** PHYSICAL PARAMETERS ** + + + RADIUS n(Htot) TEMP A_UV EFF RAD. EFF C K(PH) C K(IP) C K(AP) CO K(PH) CO K(IP) CO K(AP) DELTA_AUV + 1.000E+014 4.508E+006 6.111E+002 1.121E+000 1.632E-001 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 1.682E+000 + 1.072E+014 3.927E+006 5.762E+002 1.046E+000 1.812E-001 5.351E-011 0.000E+000 0.000E+000 1.148E-013 0.000E+000 0.000E+000 1.756E+000 + 1.148E+014 3.420E+006 5.434E+002 9.764E-001 1.999E-001 5.973E-011 0.000E+000 0.000E+000 1.359E-013 0.000E+000 0.000E+000 1.826E+000 + 1.230E+014 2.979E+006 5.124E+002 9.112E-001 2.192E-001 6.636E-011 0.000E+000 0.000E+000 1.603E-013 0.000E+000 0.000E+000 1.891E+000 + 1.318E+014 2.594E+006 4.832E+002 8.504E-001 2.393E-001 7.361E-011 0.000E+000 0.000E+000 1.895E-013 0.000E+000 0.000E+000 1.952E+000 + 1.413E+014 2.259E+006 4.556E+002 7.936E-001 2.598E-001 8.011E-011 0.000E+000 0.000E+000 2.180E-013 0.000E+000 0.000E+000 2.009E+000 + 1.514E+014 1.968E+006 4.296E+002 7.407E-001 2.808E-001 8.722E-011 0.000E+000 0.000E+000 2.519E-013 0.000E+000 0.000E+000 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9.772E+017 4.721E-002 1.000E+001 1.147E-004 9.997E-001 3.499E-010 0.000E+000 0.000E+000 2.398E-010 0.000E+000 0.000E+000 2.802E+000 + 1.047E+018 4.112E-002 1.000E+001 1.071E-004 9.997E-001 3.499E-010 0.000E+000 0.000E+000 2.398E-010 0.000E+000 0.000E+000 2.802E+000 diff --git a/data/train/20211014_gridC_Mdot2e-8_v10_T_eps_model_2022-12-25h13-20-46/inputChemistry_model_2022-12-25h13-20-46.txt b/data/train/20211014_gridC_Mdot2e-8_v10_T_eps_model_2022-12-25h13-20-46/inputChemistry_model_2022-12-25h13-20-46.txt new file mode 100644 index 0000000..8cc713b --- /dev/null +++ b/data/train/20211014_gridC_Mdot2e-8_v10_T_eps_model_2022-12-25h13-20-46/inputChemistry_model_2022-12-25h13-20-46.txt @@ -0,0 +1,57 @@ +! INPUT PARAMETERS FOR THE RATE13_CSE_MODEL +! +! PHYSICAL PARAMETERS OF THE CIRCUMSTELLAR ENVELOPE +R_STAR = 20000000000000 +T_STAR = 2400.0 +MLOSS = 2e-08 +VELOCITY = 1000000 +TEMPMODE = EPSILON +EPSILON_TEMP_LAW = 0.85 +R_EPSIL = 20000000000000 +! +! GRAIN PARAMETERS FOR H2 FORMATION AND CR IONISATION +A_G = 1e-05 +X_G = 1.5e-12 +ALBEDO = 0.5 +ZETA = 1 +GAMCO = 3 +AUV_AV = 4.65 +! +! RADIUS INFORMATION +R_INNER_CHEM = 100000000000000 +R_OUTER_CHEM = 1000000000000000000 +RESOLUTION = 0.03 +! +! ANALYSE SUBROUTINE +PERFORM_ROUTINE = 0 +ROUTINE_RADIUS = 0 +FULL_ANALYSIS = 0 +SENSITIVITY = 0 +! +! DVODE +RTOL = 1e-05 +ATOL = 1e-25 +! +! CLUMPING PARAMETERS +CLUMPMODE = SMOOTH +FVOL = 0 +L = 0 +FIC = 0 +! +! INNER PHOTONS +ISTELLAR = 0 +IBIN = 0 +RSCALE = 50 +RDUST = 2 +TBIN = 6000 +RBIN = 0 +! +! SHIELDING FUNCTIONS CO AND N2 +FILECO = "/lhome/silkem/CHEM/src-IP-AP-HNR/shielding/co/shield.03.5.69-557-36.dat" +FILEN2 = "/lhome/silkem/CHEM/src-IP-AP-HNR/n2/Tex_10K_bH2_3km.s-1_bH_5km.s-1_NH_1e+20cm-2.dat" +! INPUT AND OUTPUT FILE NAMES +REACTIONS_FILE = "/lhome/silkem/CHEM/src-IP-AP-HNR/rates/rate16_IP_2330K_AP_6000K_corrected.rates" +SPECIES_FILE = "/lhome/silkem/CHEM/src-IP-AP-HNR/specs/rate16_IP_6000K_Crich_mean_Htot.specs" +! OUTPUT FILES CSFRAC_NAME.OUT AND CSNUM_NAME.OUT FOR FRACTIONAL ABUNDANCES AND NUMBER DENSITIES +OUTPUT_FOLDER = "/lhome/silkem/CHEM/Output_nov2022/20211014_gridC_Mdot2e-8_v10_T_eps/models/model_2022-12-25h13-20-46/" +SRC_CHEMISTRY = "src-IP-AP-HNR/" \ No newline at end of file