From 86c5f5182acb509bb5b037bc7a4c38ae526a95e6 Mon Sep 17 00:00:00 2001 From: Silke Maes Date: Fri, 25 Oct 2024 12:58:06 +0200 Subject: [PATCH] Add extra data for tutorial --- data/paths_train_data.txt | 10 + .../csfrac_smooth.out | 4045 ++++++++++ .../csphyspar_smooth.out | 85 + .../input.txt | 57 + .../csfrac_smooth.out | 4045 ++++++++++ .../csphyspar_smooth.out | 85 + .../input.txt | 57 + .../csfrac_smooth.out | 6583 +++++++++++++++++ .../csphyspar_smooth.out | 139 + .../input.txt | 57 + .../csfrac_smooth.out | 6583 +++++++++++++++++ .../csphyspar_smooth.out | 139 + .../input.txt | 57 + .../csfrac_smooth.out | 6583 +++++++++++++++++ .../csphyspar_smooth.out | 139 + .../input.txt | 57 + .../csfrac_smooth.out | 6583 +++++++++++++++++ .../csphyspar_smooth.out | 139 + .../input.txt | 57 + .../csfrac_smooth.out | 6583 +++++++++++++++++ .../csphyspar_smooth.out | 139 + .../input.txt | 57 + .../csfrac_smooth.out | 6583 +++++++++++++++++ .../csphyspar_smooth.out | 139 + .../input.txt | 57 + 25 files changed, 49058 insertions(+) create mode 100644 data/train/20210527_gridC_Mdot2e-5_v17-5_T_eps_model_2023-01-16h16-20-07/csfrac_smooth.out create mode 100644 data/train/20210527_gridC_Mdot2e-5_v17-5_T_eps_model_2023-01-16h16-20-07/csphyspar_smooth.out create mode 100644 data/train/20210527_gridC_Mdot2e-5_v17-5_T_eps_model_2023-01-16h16-20-07/input.txt create mode 100644 data/train/20210527_gridC_Mdot2e-5_v20_T_eps_model_2023-01-10h12-04-32/csfrac_smooth.out create mode 100644 data/train/20210527_gridC_Mdot2e-5_v20_T_eps_model_2023-01-10h12-04-32/csphyspar_smooth.out create mode 100644 data/train/20210527_gridC_Mdot2e-5_v20_T_eps_model_2023-01-10h12-04-32/input.txt create mode 100644 data/train/20211014_gridC_Mdot1e-7_v7-5_T_eps_model_2022-12-26h18-24-01/csfrac_smooth.out create mode 100644 data/train/20211014_gridC_Mdot1e-7_v7-5_T_eps_model_2022-12-26h18-24-01/csphyspar_smooth.out create mode 100644 data/train/20211014_gridC_Mdot1e-7_v7-5_T_eps_model_2022-12-26h18-24-01/input.txt create mode 100644 data/train/20211014_gridC_Mdot1e-8_v5_T_eps_model_2022-12-25h08-12-47/csfrac_smooth.out create mode 100644 data/train/20211014_gridC_Mdot1e-8_v5_T_eps_model_2022-12-25h08-12-47/csphyspar_smooth.out create mode 100644 data/train/20211014_gridC_Mdot1e-8_v5_T_eps_model_2022-12-25h08-12-47/input.txt create mode 100644 data/train/20211014_gridC_Mdot5e-7_v15_T_eps_model_2022-12-23h16-12-23/csfrac_smooth.out create mode 100644 data/train/20211014_gridC_Mdot5e-7_v15_T_eps_model_2022-12-23h16-12-23/csphyspar_smooth.out create mode 100644 data/train/20211014_gridC_Mdot5e-7_v15_T_eps_model_2022-12-23h16-12-23/input.txt create mode 100644 data/train/20211014_gridC_Mdot5e-8_v12-5_T_eps_model_2022-12-25h00-57-30/csfrac_smooth.out create mode 100644 data/train/20211014_gridC_Mdot5e-8_v12-5_T_eps_model_2022-12-25h00-57-30/csphyspar_smooth.out create mode 100644 data/train/20211014_gridC_Mdot5e-8_v12-5_T_eps_model_2022-12-25h00-57-30/input.txt create mode 100644 data/train/20211015_gridC_Mdot1e-6_v20_T_eps_model_2022-12-28h21-05-09/csfrac_smooth.out create mode 100644 data/train/20211015_gridC_Mdot1e-6_v20_T_eps_model_2022-12-28h21-05-09/csphyspar_smooth.out create mode 100644 data/train/20211015_gridC_Mdot1e-6_v20_T_eps_model_2022-12-28h21-05-09/input.txt create mode 100644 data/train/20211018_gridC_Mdot5e-6_v22-5_T_eps_model_2022-12-27h03-01-50/csfrac_smooth.out create mode 100644 data/train/20211018_gridC_Mdot5e-6_v22-5_T_eps_model_2022-12-27h03-01-50/csphyspar_smooth.out create mode 100644 data/train/20211018_gridC_Mdot5e-6_v22-5_T_eps_model_2022-12-27h03-01-50/input.txt diff --git a/data/paths_train_data.txt b/data/paths_train_data.txt index d1727f6..b026742 100644 --- a/data/paths_train_data.txt +++ b/data/paths_train_data.txt @@ -3,3 +3,13 @@ 20211014_gridC_Mdot2e-8_v10_T_eps_model_2022-12-25h13-20-46/csfrac_smooth.out 20210527_gridC_Mdot5e-5_v22-5_T_eps_model_2022-12-27h10-44-23/csfrac_smooth.out 20211014_gridC_Mdot1e-7_v15_T_eps_model_2022-12-28h15-08-21/csfrac_smooth.out +20210527_gridC_Mdot2e-5_v17-5_T_eps_model_2023-01-16h16-20-07/csfrac_smooth.out +20211014_gridC_Mdot1e-7_v7-5_T_eps_model_2022-12-26h18-24-01/csfrac_smooth.out +20211015_gridC_Mdot1e-6_v20_T_eps_model_2022-12-28h21-05-09/csfrac_smooth.out +20211014_gridC_Mdot1e-8_v5_T_eps_model_2022-12-25h08-12-47/csfrac_smooth.out +20211018_gridC_Mdot5e-6_v22-5_T_eps_model_2022-12-27h03-01-50/csfrac_smooth.out +20210527_gridC_Mdot2e-5_v20_T_eps_model_2023-01-10h12-04-32/csfrac_smooth.out +20211014_gridC_Mdot5e-7_v15_T_eps_model_2022-12-23h16-12-23/csfrac_smooth.out +20211014_gridC_Mdot5e-8_v12-5_T_eps_model_2022-12-25h00-57-30/csfrac_smooth.out + + diff --git a/data/train/20210527_gridC_Mdot2e-5_v17-5_T_eps_model_2023-01-16h16-20-07/csfrac_smooth.out b/data/train/20210527_gridC_Mdot2e-5_v17-5_T_eps_model_2023-01-16h16-20-07/csfrac_smooth.out new file mode 100644 index 0000000..cdb5bf0 --- /dev/null +++ b/data/train/20210527_gridC_Mdot2e-5_v17-5_T_eps_model_2023-01-16h16-20-07/csfrac_smooth.out @@ -0,0 +1,4045 @@ + ** 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 + 1.122E+014 1.648E-010 3.160E-016 6.884E-018 2.787E-018 2.735E-015 8.500E-002 3.214E-016 4.107E-020 4.806E-025 2.966E-016 + 1.259E+014 2.564E-010 3.946E-016 8.755E-018 3.509E-018 3.429E-015 8.500E-002 4.039E-016 5.170E-020 1.292E-024 4.440E-016 + 1.413E+014 3.355E-010 4.926E-016 1.114E-017 4.418E-018 4.297E-015 8.500E-002 5.075E-016 6.509E-020 2.389E-024 6.656E-016 + 1.585E+014 4.170E-010 6.150E-016 1.417E-017 5.561E-018 5.385E-015 8.500E-002 6.377E-016 8.194E-020 3.782E-024 9.970E-016 + 1.778E+014 5.086E-010 7.677E-016 1.803E-017 7.001E-018 6.748E-015 8.500E-002 8.013E-016 1.032E-019 5.544E-024 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1.226E-013 2.385E-020 1.186E-014 7.620E-023 4.624E-012 5.068E-016 2.028E-012 3.404E-023 + 4.467E+017 3.168E-009 1.500E-004 1.326E-013 1.152E-020 9.771E-015 3.956E-023 4.022E-012 4.112E-016 1.458E-012 1.575E-023 + 5.012E+017 2.989E-009 7.049E-005 1.329E-013 5.560E-021 7.753E-015 1.982E-023 3.463E-012 3.315E-016 9.414E-013 7.135E-024 + 5.623E+017 2.777E-009 2.080E-006 1.235E-013 2.696E-021 6.273E-015 1.067E-023 2.709E-012 2.778E-016 5.913E-013 3.392E-024 + 6.310E+017 2.242E-009 1.678E-009 1.203E-013 1.354E-021 6.030E-015 8.065E-024 1.709E-012 2.678E-016 5.070E-013 2.038E-024 + 7.079E+017 1.799E-009 1.998E-010 1.174E-013 6.803E-022 5.850E-015 6.212E-024 1.068E-012 2.593E-016 4.476E-013 1.242E-024 + 7.943E+017 1.446E-009 1.293E-010 1.144E-013 3.406E-022 5.664E-015 4.767E-024 6.660E-013 2.499E-016 4.004E-013 7.560E-025 + 8.913E+017 1.165E-009 8.548E-011 1.115E-013 1.697E-022 5.474E-015 3.638E-024 4.149E-013 2.394E-016 3.625E-013 4.597E-025 + 1.000E+018 9.391E-010 5.757E-011 1.088E-013 8.405E-023 5.280E-015 2.756E-024 2.583E-013 2.279E-016 3.315E-013 2.793E-025 + RADIUS Si CO CO+ C2H4 HCNH+ C2H5+ HCO SiH+ HCO+ CH2NH + + + + RADIUS SiH C2H5 HOC+ N2H+ CH2NH2+ SiH2 CH3CH3+ NO H2CO CH4N+ + 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 + 1.122E+014 3.856E-019 1.156E-022 5.337E-018 2.438E-016 1.084E-017 4.997E-025 1.124E-031 3.099E-020 4.997E-017 4.334E-016 + 1.259E+014 2.643E-018 4.593E-022 6.667E-018 3.050E-016 2.570E-017 4.668E-024 5.499E-031 6.695E-020 1.774E-016 8.191E-016 + 1.413E+014 7.228E-018 9.050E-022 8.328E-018 3.815E-016 3.517E-017 1.652E-023 1.333E-030 1.087E-019 3.458E-016 1.131E-015 + 1.585E+014 1.382E-017 1.458E-021 1.040E-017 4.772E-016 4.119E-017 3.998E-023 2.640E-030 1.574E-019 5.481E-016 1.382E-015 + 1.778E+014 2.217E-017 2.154E-021 1.299E-017 5.968E-016 4.563E-017 7.994E-023 4.796E-030 2.142E-019 7.925E-016 1.587E-015 + 1.995E+014 3.223E-017 3.036E-021 1.623E-017 7.462E-016 4.931E-017 1.435E-022 8.310E-030 2.809E-019 1.089E-015 1.754E-015 + 2.239E+014 4.416E-017 4.161E-021 2.027E-017 9.329E-016 5.258E-017 2.414E-022 1.400E-029 3.595E-019 1.447E-015 1.883E-015 + 2.512E+014 5.820E-017 5.605E-021 2.531E-017 1.166E-015 5.562E-017 3.895E-022 2.318E-029 4.529E-019 1.882E-015 1.973E-015 + 2.818E+014 7.473E-017 7.463E-021 3.160E-017 1.458E-015 5.850E-017 6.114E-022 3.793E-029 5.650E-019 2.409E-015 2.019E-015 + 3.162E+014 9.422E-017 9.847E-021 3.946E-017 1.822E-015 6.128E-017 9.421E-022 6.148E-029 7.016E-019 3.046E-015 2.020E-015 + 3.548E+014 1.173E-016 1.288E-020 4.927E-017 2.277E-015 6.398E-017 1.433E-021 9.875E-029 8.711E-019 3.817E-015 1.974E-015 + 3.981E+014 1.446E-016 1.668E-020 6.151E-017 2.845E-015 6.664E-017 2.158E-021 1.570E-028 1.087E-018 4.750E-015 1.887E-015 + 4.467E+014 1.772E-016 2.138E-020 7.678E-017 3.554E-015 6.927E-017 3.226E-021 2.468E-028 1.368E-018 5.877E-015 1.766E-015 + 5.012E+014 2.164E-016 2.716E-020 9.584E-017 4.440E-015 7.189E-017 4.793E-021 3.844E-028 1.748E-018 7.237E-015 1.622E-015 + 5.623E+014 2.640E-016 3.426E-020 1.196E-016 5.546E-015 7.452E-017 7.083E-021 5.942E-028 2.273E-018 8.873E-015 1.467E-015 + 6.310E+014 3.222E-016 4.304E-020 1.492E-016 6.925E-015 7.718E-017 1.042E-020 9.138E-028 3.013E-018 1.083E-014 1.315E-015 + 7.079E+014 3.945E-016 5.393E-020 1.862E-016 8.648E-015 7.989E-017 1.525E-020 1.401E-027 4.064E-018 1.317E-014 1.174E-015 + 7.943E+014 4.848E-016 6.752E-020 2.323E-016 1.080E-014 8.266E-017 2.223E-020 2.145E-027 5.548E-018 1.594E-014 1.054E-015 + 8.913E+014 5.983E-016 8.451E-020 2.897E-016 1.348E-014 8.552E-017 3.225E-020 3.281E-027 7.605E-018 1.920E-014 9.581E-016 + 1.000E+015 7.408E-016 1.058E-019 3.613E-016 1.682E-014 8.848E-017 4.658E-020 5.017E-027 1.039E-017 2.300E-014 8.895E-016 + 1.122E+015 9.188E-016 1.324E-019 4.506E-016 2.099E-014 9.156E-017 6.698E-020 7.668E-027 1.404E-017 2.742E-014 8.484E-016 + 1.259E+015 1.139E-015 1.658E-019 5.619E-016 2.619E-014 9.477E-017 9.592E-020 1.171E-026 1.872E-017 3.256E-014 8.338E-016 + 1.413E+015 1.409E-015 2.076E-019 7.005E-016 3.268E-014 9.813E-017 1.368E-019 1.789E-026 2.460E-017 3.853E-014 8.441E-016 + 1.585E+015 1.736E-015 2.599E-019 8.733E-016 4.076E-014 1.016E-016 1.943E-019 2.730E-026 3.188E-017 4.548E-014 8.776E-016 + 1.778E+015 2.129E-015 3.253E-019 1.089E-015 5.083E-014 1.053E-016 2.748E-019 4.165E-026 4.088E-017 5.357E-014 9.325E-016 + 1.995E+015 2.598E-015 4.072E-019 1.357E-015 6.338E-014 1.092E-016 3.870E-019 6.349E-026 5.209E-017 6.304E-014 1.007E-015 + 2.239E+015 3.155E-015 5.097E-019 1.691E-015 7.902E-014 1.132E-016 5.430E-019 9.671E-026 6.625E-017 7.413E-014 1.101E-015 + 2.512E+015 3.813E-015 6.377E-019 2.107E-015 9.849E-014 1.175E-016 7.589E-019 1.472E-025 8.453E-017 8.715E-014 1.214E-015 + 2.818E+015 4.588E-015 7.977E-019 2.625E-015 1.227E-013 1.219E-016 1.056E-018 2.239E-025 1.087E-016 1.024E-013 1.345E-015 + 3.162E+015 5.501E-015 9.975E-019 3.270E-015 1.529E-013 1.266E-016 1.464E-018 3.401E-025 1.416E-016 1.204E-013 1.496E-015 + 3.548E+015 6.574E-015 1.247E-018 4.072E-015 1.905E-013 1.314E-016 2.022E-018 5.163E-025 1.866E-016 1.416E-013 1.667E-015 + 3.981E+015 7.836E-015 1.559E-018 5.072E-015 2.373E-013 1.365E-016 2.781E-018 7.828E-025 2.483E-016 1.665E-013 1.861E-015 + 4.467E+015 9.321E-015 1.947E-018 6.315E-015 2.955E-013 1.418E-016 3.809E-018 1.186E-024 3.324E-016 1.958E-013 2.080E-015 + 5.012E+015 1.107E-014 2.432E-018 7.863E-015 3.678E-013 1.474E-016 5.198E-018 1.794E-024 4.459E-016 2.302E-013 2.325E-015 + 5.623E+015 1.313E-014 3.036E-018 9.788E-015 4.578E-013 1.533E-016 7.072E-018 2.711E-024 5.978E-016 2.707E-013 2.600E-015 + 6.310E+015 1.558E-014 3.789E-018 1.218E-014 5.696E-013 1.594E-016 9.617E-018 4.093E-024 8.021E-016 3.183E-013 2.907E-015 + 7.079E+015 1.852E-014 4.727E-018 1.516E-014 7.085E-013 1.658E-016 1.315E-017 6.170E-024 1.086E-015 3.745E-013 3.250E-015 + 7.943E+015 2.212E-014 5.900E-018 1.886E-014 8.811E-013 1.724E-016 1.840E-017 9.292E-024 1.519E-015 4.409E-013 3.628E-015 + 8.913E+015 2.685E-014 7.377E-018 2.347E-014 1.095E-012 1.791E-016 2.717E-017 1.400E-023 2.307E-015 5.210E-013 4.039E-015 + 1.000E+016 3.393E-014 9.276E-018 2.919E-014 1.361E-012 1.854E-016 4.447E-017 2.114E-023 4.168E-015 6.214E-013 4.464E-015 + 1.122E+016 4.717E-014 1.183E-017 3.630E-014 1.689E-012 1.905E-016 8.395E-017 3.223E-023 1.010E-014 7.599E-013 4.876E-015 + 1.259E+016 8.156E-014 1.553E-017 4.514E-014 2.095E-012 1.932E-016 1.823E-016 5.013E-023 3.414E-014 9.865E-013 5.272E-015 + 1.413E+016 2.196E-013 2.141E-017 5.612E-014 2.593E-012 1.921E-016 4.322E-016 8.078E-023 1.419E-013 1.454E-012 5.885E-015 + 1.585E+016 1.011E-012 3.137E-017 6.977E-014 3.199E-012 1.872E-016 1.035E-015 1.363E-022 6.187E-013 2.633E-012 7.768E-015 + 1.778E+016 6.014E-012 4.850E-017 8.677E-014 3.936E-012 1.826E-016 2.331E-015 2.396E-022 2.582E-012 5.934E-012 1.384E-014 + 1.995E+016 3.516E-011 7.680E-017 1.080E-013 4.824E-012 1.851E-016 4.738E-015 4.263E-022 9.923E-012 1.527E-011 3.028E-014 + 2.239E+016 1.790E-010 1.218E-016 1.349E-013 5.880E-012 2.002E-016 8.598E-015 7.457E-022 3.472E-011 4.047E-011 6.742E-014 + 2.512E+016 7.505E-010 2.141E-016 1.695E-013 7.089E-012 2.257E-016 1.395E-014 1.356E-021 1.106E-010 1.030E-010 1.356E-013 + 2.818E+016 2.470E-009 6.330E-016 2.167E-013 8.341E-012 2.394E-016 2.013E-014 3.636E-021 3.219E-010 2.417E-010 2.253E-013 + 3.162E+016 6.031E-009 3.221E-015 2.897E-013 9.302E-012 2.049E-016 2.539E-014 1.529E-020 8.565E-010 5.078E-010 2.831E-013 + 3.548E+016 1.022E-008 1.516E-014 4.324E-013 9.475E-012 1.320E-016 2.778E-014 5.262E-020 2.071E-009 9.251E-010 2.586E-013 + 3.981E+016 1.126E-008 4.783E-014 7.864E-013 8.555E-012 6.572E-017 2.656E-014 1.095E-019 4.481E-009 1.409E-009 1.734E-013 + 4.467E+016 7.628E-009 9.081E-014 1.703E-012 6.699E-012 2.492E-017 2.200E-014 1.319E-019 8.458E-009 1.717E-009 8.503E-014 + 5.012E+016 3.053E-009 9.958E-014 3.655E-012 4.551E-012 6.583E-018 1.522E-014 8.785E-020 1.345E-008 1.589E-009 3.157E-014 + 5.623E+016 7.499E-010 6.263E-014 6.392E-012 2.759E-012 1.041E-018 8.400E-015 3.032E-020 1.731E-008 1.052E-009 9.577E-015 + 6.310E+016 1.711E-010 2.279E-014 8.043E-012 1.553E-012 8.286E-020 3.505E-015 5.288E-021 1.718E-008 4.754E-010 2.387E-015 + 7.079E+016 7.467E-011 4.806E-015 6.859E-012 8.565E-013 2.720E-021 1.054E-015 4.957E-022 1.246E-008 1.544E-010 4.451E-016 + 7.943E+016 4.532E-011 5.818E-016 4.044E-012 4.828E-013 3.354E-023 2.353E-016 2.879E-023 6.250E-009 4.735E-011 5.724E-017 + 8.913E+016 2.753E-011 3.972E-017 1.855E-012 2.779E-013 4.097E-025 5.099E-017 1.311E-024 2.070E-009 1.812E-011 6.409E-018 + 1.000E+017 1.731E-011 1.574E-018 8.184E-013 1.602E-013 2.186E-026 1.487E-017 1.181E-025 4.406E-010 7.964E-012 1.310E-018 + 1.122E+017 1.165E-011 5.864E-020 4.973E-013 9.107E-014 1.930E-027 5.495E-018 2.795E-026 6.198E-011 3.428E-012 4.078E-019 + 1.259E+017 8.267E-012 5.095E-021 4.329E-013 5.013E-014 2.051E-028 2.257E-018 6.259E-027 7.839E-012 1.417E-012 1.378E-019 + 1.413E+017 6.063E-012 7.229E-022 4.248E-013 2.607E-014 2.698E-029 9.765E-019 1.066E-027 1.925E-012 6.258E-013 5.483E-020 + 1.585E+017 4.529E-012 1.499E-022 4.286E-013 1.245E-014 5.008E-030 4.321E-019 1.361E-028 8.218E-013 3.400E-013 2.767E-020 + 1.778E+017 3.414E-012 4.670E-023 4.384E-013 5.311E-015 1.296E-030 1.957E-019 1.309E-029 4.208E-013 2.259E-013 1.697E-020 + 1.995E+017 2.586E-012 1.751E-023 4.530E-013 1.963E-015 4.156E-031 9.384E-020 1.007E-030 2.671E-013 1.642E-013 1.177E-020 + 2.239E+017 1.964E-012 6.539E-024 4.691E-013 6.051E-016 1.508E-031 4.958E-020 8.561E-032 2.092E-013 1.227E-013 8.756E-021 + 2.512E+017 1.495E-012 2.306E-024 4.798E-013 1.505E-016 5.802E-032 2.898E-020 1.507E-032 1.820E-013 9.329E-014 6.663E-021 + 2.818E+017 1.142E-012 7.744E-025 4.777E-013 3.118E-017 2.238E-032 1.817E-020 4.275E-033 1.616E-013 7.211E-014 5.006E-021 + 3.162E+017 8.743E-013 2.514E-025 4.578E-013 7.833E-018 8.314E-033 1.182E-020 1.255E-033 1.416E-013 5.639E-014 3.629E-021 + 3.548E+017 6.711E-013 7.919E-026 4.183E-013 4.519E-018 2.898E-033 7.798E-021 3.481E-034 1.217E-013 4.432E-014 2.507E-021 + 3.981E+017 5.164E-013 2.409E-026 3.611E-013 4.091E-018 9.337E-034 5.157E-021 9.024E-035 1.027E-013 3.483E-014 1.640E-021 + 4.467E+017 3.983E-013 7.037E-027 2.906E-013 3.888E-018 2.754E-034 3.399E-021 2.176E-035 8.553E-014 2.732E-014 1.015E-021 + 5.012E+017 3.080E-013 1.962E-027 2.127E-013 3.642E-018 7.359E-035 2.228E-021 4.874E-036 7.061E-014 2.136E-014 5.941E-022 + 5.623E+017 2.389E-013 5.887E-028 1.524E-013 3.559E-018 2.188E-035 1.523E-021 1.266E-036 5.645E-014 1.573E-014 3.753E-022 + 6.310E+017 1.863E-013 2.768E-028 1.330E-013 4.210E-018 1.279E-035 1.226E-021 7.000E-037 4.253E-014 1.022E-014 3.547E-022 + 7.079E+017 1.455E-013 1.341E-028 1.169E-013 5.046E-018 8.017E-036 9.903E-022 4.064E-037 3.201E-014 6.553E-015 3.422E-022 + 7.943E+017 1.138E-013 6.471E-029 1.031E-013 6.055E-018 5.159E-036 7.938E-022 2.347E-037 2.406E-014 4.159E-015 3.284E-022 + 8.913E+017 8.908E-014 3.103E-029 9.148E-014 7.272E-018 3.394E-036 6.313E-022 1.347E-037 1.810E-014 2.616E-015 3.135E-022 + 1.000E+018 6.983E-014 1.477E-029 8.176E-014 8.736E-018 2.275E-036 4.981E-022 7.666E-038 1.365E-014 1.632E-015 2.977E-022 + RADIUS SiH C2H5 HOC+ N2H+ CH2NH2+ SiH2 CH3CH3+ NO H2CO CH4N+ + + + + RADIUS H2CO+ CH3CH3 SiH2+ NO+ P+ P H3CO+ HNO+ SiH3+ HNO + 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 + 1.122E+014 7.193E-021 2.610E-032 1.978E-017 1.170E-017 6.861E-020 4.543E-019 1.361E-020 4.151E-023 2.909E-023 1.759E-024 + 1.259E+014 8.764E-021 2.481E-031 3.682E-017 2.134E-017 8.619E-020 3.368E-018 1.702E-020 5.321E-023 7.865E-023 1.714E-023 + 1.413E+014 1.059E-020 8.434E-031 4.995E-017 2.841E-017 1.083E-019 1.021E-017 2.130E-020 6.822E-023 1.501E-022 8.245E-023 + 1.585E+014 1.267E-020 1.981E-030 6.089E-017 3.397E-017 1.360E-019 2.174E-017 2.650E-020 8.744E-023 2.503E-022 2.704E-022 + 1.778E+014 1.497E-020 3.899E-030 7.127E-017 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1.583E-021 1.456E-023 1.136E-021 1.453E-021 1.392E-021 2.899E-024 3.115E-023 1.433E-025 1.053E-024 + 7.079E+017 5.716E-020 2.714E-022 2.040E-024 1.287E-022 1.655E-022 1.418E-022 3.766E-025 2.810E-024 1.659E-026 1.403E-025 + 7.943E+017 8.290E-021 4.967E-023 3.055E-025 1.494E-023 1.932E-023 1.755E-023 6.065E-026 2.591E-025 2.047E-027 2.212E-026 + 8.913E+017 1.256E-021 9.742E-024 4.923E-026 1.774E-024 2.313E-024 2.936E-024 1.362E-026 2.446E-026 2.994E-028 4.742E-027 + 1.000E+018 1.997E-022 2.706E-024 1.046E-026 2.162E-025 2.851E-025 6.855E-025 5.751E-027 2.378E-027 1.081E-028 1.207E-027 + RADIUS C10 C10+ C10H+ C10H- C10H C9N C9N+ C10H2 C10H2+ HC9N+ + + + + RADIUS C10H3+ HC9N H2C9N+ H3C9N+ C11 C11+ e- H2 + 1.000E+014 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 5.000E-001 + 1.122E+014 2.117E-031 2.258E-028 2.104E-027 1.001E-027 1.501E-034 5.331E-033 4.941E-011 5.000E-001 + 1.259E+014 8.154E-030 1.749E-026 4.450E-026 1.848E-026 3.656E-032 2.538E-031 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1.279E-024 7.519E-026 1.088E-009 5.000E-001 + 1.413E+015 1.830E-024 5.985E-021 7.542E-022 1.998E-022 1.918E-024 1.118E-025 1.222E-009 5.000E-001 + 1.585E+015 2.576E-024 8.434E-021 9.621E-022 2.516E-022 2.853E-024 1.653E-025 1.354E-009 5.000E-001 + 1.778E+015 3.614E-024 1.196E-020 1.216E-021 3.142E-022 4.212E-024 2.430E-025 1.511E-009 5.000E-001 + 1.995E+015 5.057E-024 1.711E-020 1.524E-021 3.895E-022 6.179E-024 3.556E-025 1.671E-009 5.000E-001 + 2.239E+015 7.059E-024 2.479E-020 1.895E-021 4.792E-022 9.008E-024 5.182E-025 1.865E-009 5.000E-001 + 2.512E+015 9.834E-024 3.642E-020 2.339E-021 5.854E-022 1.306E-023 7.527E-025 2.056E-009 5.000E-001 + 2.818E+015 1.368E-023 5.424E-020 2.865E-021 7.102E-022 1.882E-023 1.090E-024 2.291E-009 5.000E-001 + 3.162E+015 1.900E-023 8.177E-020 3.484E-021 8.557E-022 2.699E-023 1.573E-024 2.538E-009 5.000E-001 + 3.548E+015 2.637E-023 1.243E-019 4.209E-021 1.024E-021 3.852E-023 2.265E-024 2.824E-009 5.000E-001 + 3.981E+015 3.657E-023 1.899E-019 5.050E-021 1.218E-021 5.471E-023 3.251E-024 3.128E-009 5.000E-001 + 4.467E+015 5.069E-023 2.900E-019 6.022E-021 1.440E-021 7.736E-023 4.656E-024 3.488E-009 5.000E-001 + 5.012E+015 7.029E-023 4.412E-019 7.134E-021 1.690E-021 1.089E-022 6.649E-024 3.915E-009 5.000E-001 + 5.623E+015 9.771E-023 6.674E-019 8.402E-021 1.973E-021 1.527E-022 9.471E-024 4.298E-009 5.000E-001 + 6.310E+015 1.373E-022 1.006E-018 9.848E-021 2.290E-021 2.135E-022 1.346E-023 4.817E-009 5.000E-001 + 7.079E+015 2.010E-022 1.531E-018 1.155E-020 2.658E-021 2.983E-022 1.911E-023 5.300E-009 5.000E-001 + 7.943E+015 3.323E-022 2.432E-018 1.382E-020 3.139E-021 4.193E-022 2.719E-023 5.943E-009 5.000E-001 + 8.913E+015 7.247E-022 4.388E-018 1.785E-020 3.980E-021 6.025E-022 3.913E-023 6.716E-009 5.000E-001 + 1.000E+016 2.425E-021 1.048E-017 2.797E-020 6.084E-021 9.128E-022 5.828E-023 7.747E-009 5.000E-001 + 1.122E+016 1.246E-020 3.896E-017 6.030E-020 1.277E-020 1.539E-021 9.553E-023 9.463E-009 5.000E-001 + 1.259E+016 8.409E-020 2.214E-016 1.777E-019 3.675E-020 3.105E-021 2.025E-022 1.198E-008 5.000E-001 + 1.413E+016 6.163E-019 1.594E-015 6.650E-019 1.304E-019 8.006E-021 7.085E-022 1.646E-008 5.000E-001 + 1.585E+016 4.284E-018 1.221E-014 3.480E-018 5.718E-019 2.749E-020 4.082E-021 2.325E-008 5.000E-001 + 1.778E+016 2.648E-017 8.984E-014 2.601E-017 3.213E-018 1.310E-019 2.948E-020 3.372E-008 5.000E-001 + 1.995E+016 1.417E-016 6.056E-013 2.141E-016 1.977E-017 9.039E-019 2.232E-019 4.839E-008 5.000E-001 + 2.239E+016 6.392E-016 3.661E-012 1.601E-015 1.084E-016 8.653E-018 1.701E-018 7.034E-008 5.000E-001 + 2.512E+016 2.317E-015 1.956E-011 9.918E-015 4.513E-016 9.900E-017 1.295E-017 1.055E-007 5.000E-001 + 2.818E+016 6.260E-015 8.990E-011 4.694E-014 1.234E-015 1.165E-015 9.508E-017 1.710E-007 5.000E-001 + 3.162E+016 1.170E-014 3.393E-010 1.557E-013 2.027E-015 1.266E-014 6.386E-016 3.000E-007 5.000E-001 + 3.548E+016 1.505E-014 9.846E-010 3.427E-013 2.162E-015 1.177E-013 3.766E-015 5.395E-007 5.000E-001 + 3.981E+016 1.473E-014 2.066E-009 4.845E-013 1.906E-015 8.896E-013 1.885E-014 9.835E-007 4.999E-001 + 4.467E+016 1.319E-014 3.068E-009 4.324E-013 1.676E-015 5.339E-012 8.254E-014 1.742E-006 4.999E-001 + 5.012E+016 1.273E-014 3.373E-009 2.624E-013 1.272E-015 2.503E-011 3.380E-013 3.164E-006 4.999E-001 + 5.623E+016 1.300E-014 2.962E-009 1.262E-013 6.393E-016 8.929E-011 1.215E-012 5.620E-006 4.999E-001 + 6.310E+016 1.116E-014 2.034E-009 5.354E-014 1.828E-016 2.311E-010 3.360E-012 9.719E-006 4.999E-001 + 7.079E+016 7.144E-015 9.524E-010 2.286E-014 2.958E-017 4.034E-010 6.571E-012 1.544E-005 4.999E-001 + 7.943E+016 3.531E-015 2.939E-010 1.287E-014 3.663E-018 4.490E-010 8.886E-012 2.294E-005 4.999E-001 + 8.913E+016 1.440E-015 7.335E-011 9.008E-015 5.550E-019 3.215E-010 8.680E-012 3.195E-005 4.999E-001 + 1.000E+017 4.923E-016 1.862E-011 6.121E-015 1.065E-019 1.582E-010 6.621E-012 4.291E-005 4.999E-001 + 1.122E+017 1.364E-016 5.424E-012 3.745E-015 2.422E-020 5.747E-011 4.137E-012 5.569E-005 4.999E-001 + 1.259E+017 2.996E-017 1.890E-012 2.024E-015 6.118E-021 1.583E-011 2.114E-012 6.904E-005 4.999E-001 + 1.413E+017 5.486E-018 7.035E-013 9.326E-016 1.606E-021 3.242E-012 8.535E-013 8.407E-005 4.998E-001 + 1.585E+017 9.421E-019 2.349E-013 3.499E-016 4.521E-022 4.701E-013 2.593E-013 9.918E-005 4.998E-001 + 1.778E+017 1.529E-019 6.312E-014 1.027E-016 1.323E-022 4.633E-014 5.671E-014 1.144E-004 4.998E-001 + 1.995E+017 2.001E-020 1.297E-014 2.296E-017 3.359E-023 3.187E-015 8.922E-015 1.296E-004 4.998E-001 + 2.239E+017 1.906E-021 1.979E-015 3.826E-018 6.616E-024 1.800E-016 1.113E-015 1.448E-004 4.998E-001 + 2.512E+017 1.396E-022 2.190E-016 4.633E-019 1.065E-024 1.066E-017 1.348E-016 1.622E-004 4.998E-001 + 2.818E+017 9.667E-024 1.737E-017 4.023E-020 1.647E-025 8.048E-019 1.975E-017 1.839E-004 4.998E-001 + 3.162E+017 8.180E-025 1.051E-018 2.654E-021 2.762E-026 8.610E-020 3.813E-018 2.114E-004 4.998E-001 + 3.548E+017 8.796E-026 6.545E-020 1.799E-022 4.950E-027 1.188E-020 8.469E-019 2.474E-004 4.998E-001 + 3.981E+017 1.040E-026 6.215E-021 1.772E-023 8.900E-028 1.710E-021 1.836E-019 2.966E-004 4.998E-001 + 4.467E+017 1.234E-027 7.673E-022 2.104E-024 1.536E-028 2.263E-022 3.576E-020 3.549E-004 4.998E-001 + 5.012E+017 1.414E-028 9.664E-023 2.367E-025 2.454E-029 2.592E-023 5.984E-021 4.365E-004 4.998E-001 + 5.623E+017 5.833E-030 6.253E-024 1.856E-026 1.794E-030 7.360E-025 8.284E-022 5.081E-004 4.998E-001 + 6.310E+017 3.967E-031 3.028E-025 1.406E-027 9.114E-032 9.847E-027 1.077E-022 5.128E-004 4.998E-001 + 7.079E+017 1.377E-031 2.954E-026 1.746E-028 1.704E-032 6.869E-028 1.461E-023 5.129E-004 4.998E-001 + 7.943E+017 5.249E-032 3.727E-027 3.091E-029 3.683E-033 4.980E-029 2.074E-024 5.130E-004 4.998E-001 + 8.913E+017 2.027E-032 6.773E-028 7.159E-030 9.645E-034 3.739E-030 3.076E-025 5.132E-004 4.998E-001 + 1.000E+018 7.458E-033 1.585E-028 1.263E-029 2.704E-034 2.903E-031 4.604E-026 5.133E-004 4.998E-001 + RADIUS C10H3+ HC9N H2C9N+ H3C9N+ C11 C11+ e- H2 + + + diff --git a/data/train/20210527_gridC_Mdot2e-5_v17-5_T_eps_model_2023-01-16h16-20-07/csphyspar_smooth.out b/data/train/20210527_gridC_Mdot2e-5_v17-5_T_eps_model_2023-01-16h16-20-07/csphyspar_smooth.out new file mode 100644 index 0000000..da89a5d --- /dev/null +++ b/data/train/20210527_gridC_Mdot2e-5_v17-5_T_eps_model_2023-01-16h16-20-07/csphyspar_smooth.out @@ -0,0 +1,85 @@ + ** 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 2.576E+009 1.103E+003 6.406E+002 2.669E-281 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 9.609E+002 + 1.122E+014 2.046E+009 1.053E+003 5.709E+002 5.466E-251 5.955E-299 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 1.031E+003 + 1.259E+014 1.625E+009 1.006E+003 5.088E+002 5.658E-224 3.923E-269 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 1.093E+003 + 1.413E+014 1.291E+009 9.608E+002 4.535E+002 6.758E-200 8.779E-241 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 1.148E+003 + 1.585E+014 1.026E+009 9.176E+002 4.042E+002 1.944E-178 1.224E-215 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 1.197E+003 + 1.778E+014 8.146E+008 8.763E+002 3.602E+002 2.593E-159 9.025E-193 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 1.241E+003 + 1.995E+014 6.471E+008 8.368E+002 3.211E+002 2.878E-142 1.039E-173 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 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a/data/train/20210527_gridC_Mdot2e-5_v17-5_T_eps_model_2023-01-16h16-20-07/input.txt b/data/train/20210527_gridC_Mdot2e-5_v17-5_T_eps_model_2023-01-16h16-20-07/input.txt new file mode 100644 index 0000000..cf6fc8b --- /dev/null +++ b/data/train/20210527_gridC_Mdot2e-5_v17-5_T_eps_model_2023-01-16h16-20-07/input.txt @@ -0,0 +1,57 @@ +! INPUT PARAMETERS FOR THE RATE13_CSE_MODEL +! +! PHYSICAL PARAMETERS OF THE CIRCUMSTELLAR ENVELOPE +R_STAR = 20000000000000 +T_STAR = 2100.0 +MLOSS = 2e-05 +VELOCITY = 1750000 +TEMPMODE = EPSILON +EPSILON_TEMP_LAW = 0.4 +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 = 0.05 +! +! 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_Mdot2e-5_v17-5_T_eps/models/model_2023-01-16h16-20-07/" +SRC_CHEMISTRY = "src-IP-AP-HNR/" \ No newline at end of file diff --git a/data/train/20210527_gridC_Mdot2e-5_v20_T_eps_model_2023-01-10h12-04-32/csfrac_smooth.out b/data/train/20210527_gridC_Mdot2e-5_v20_T_eps_model_2023-01-10h12-04-32/csfrac_smooth.out new file mode 100644 index 0000000..7ed2c36 --- /dev/null +++ b/data/train/20210527_gridC_Mdot2e-5_v20_T_eps_model_2023-01-10h12-04-32/csfrac_smooth.out @@ -0,0 +1,4045 @@ + ** 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 + 1.122E+014 7.741E-011 2.948E-016 1.023E-017 3.185E-018 2.783E-015 8.500E-002 3.490E-016 4.693E-020 2.770E-025 1.740E-015 + 1.259E+014 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1.111E-024 2.681E-030 9.335E-027 8.411E-036 1.855E-035 1.036E-022 1.663E-020 + 5.623E+017 4.658E-020 3.682E-034 1.414E-019 6.199E-025 1.449E-030 8.303E-027 4.668E-036 7.979E-036 8.826E-023 1.666E-020 + 6.310E+017 2.981E-020 1.893E-034 1.115E-019 3.923E-025 8.685E-031 8.202E-027 2.736E-036 3.834E-036 7.347E-023 1.812E-020 + 7.079E+017 1.854E-020 9.502E-035 8.768E-020 2.466E-025 5.228E-031 8.091E-027 1.589E-036 1.841E-036 5.975E-023 1.933E-020 + 7.943E+017 1.133E-020 4.683E-035 6.872E-020 1.545E-025 3.154E-031 7.952E-027 9.183E-037 8.826E-037 4.821E-023 2.014E-020 + 8.913E+017 6.863E-021 2.281E-035 5.369E-020 9.700E-026 1.906E-031 7.780E-027 5.310E-037 4.229E-037 3.910E-023 2.044E-020 + 1.000E+018 4.131E-021 1.108E-035 4.182E-020 6.143E-026 1.152E-031 7.568E-027 3.094E-037 2.026E-037 3.227E-023 2.013E-020 + 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 + 1.122E+014 5.663E-029 9.032E-016 5.180E-021 1.340E-019 1.241E-015 4.808E-020 2.386E-015 3.333E-025 1.125E-022 5.562E-017 + 1.259E+014 2.562E-028 1.904E-015 9.242E-021 9.962E-019 2.194E-015 9.855E-020 3.985E-015 1.595E-024 2.131E-022 8.043E-017 + 1.413E+014 5.070E-028 2.970E-015 1.203E-020 3.005E-018 2.824E-015 1.496E-019 5.120E-015 3.922E-024 2.976E-022 9.591E-017 + 1.585E+014 8.218E-028 4.136E-015 1.424E-020 6.404E-018 3.300E-015 2.023E-019 6.095E-015 7.379E-024 3.818E-022 1.135E-016 + 1.778E+014 1.256E-027 5.455E-015 1.638E-020 1.154E-017 3.738E-015 2.582E-019 7.073E-015 1.206E-023 4.791E-022 1.358E-016 + 1.995E+014 1.865E-027 6.976E-015 1.868E-020 1.897E-017 4.191E-015 3.184E-019 8.124E-015 1.810E-023 5.983E-022 1.633E-016 + 2.239E+014 2.710E-027 8.754E-015 2.125E-020 2.950E-017 4.683E-015 3.843E-019 9.285E-015 2.578E-023 7.467E-022 1.963E-016 + 2.512E+014 3.877E-027 1.085E-014 2.416E-020 4.427E-017 5.225E-015 4.571E-019 1.058E-014 3.549E-023 9.318E-022 2.353E-016 + 2.818E+014 5.475E-027 1.333E-014 2.746E-020 6.486E-017 5.824E-015 5.380E-019 1.201E-014 4.781E-023 1.163E-021 2.810E-016 + 3.162E+014 7.656E-027 1.629E-014 3.121E-020 9.336E-017 6.486E-015 6.286E-019 1.361E-014 6.361E-023 1.450E-021 3.346E-016 + 3.548E+014 1.062E-026 1.981E-014 3.547E-020 1.326E-016 7.218E-015 7.304E-019 1.538E-014 8.404E-023 1.807E-021 3.969E-016 + 3.981E+014 1.464E-026 2.402E-014 4.030E-020 1.864E-016 8.026E-015 8.452E-019 1.734E-014 1.107E-022 2.250E-021 4.694E-016 + 4.467E+014 2.006E-026 2.906E-014 4.578E-020 2.596E-016 8.917E-015 9.752E-019 1.951E-014 1.456E-022 2.801E-021 5.533E-016 + 5.012E+014 2.737E-026 3.508E-014 5.199E-020 3.587E-016 9.897E-015 1.122E-018 2.190E-014 1.916E-022 3.482E-021 6.503E-016 + 5.623E+014 3.719E-026 4.228E-014 5.902E-020 4.918E-016 1.097E-014 1.289E-018 2.453E-014 2.522E-022 4.325E-021 7.624E-016 + 6.310E+014 5.038E-026 5.089E-014 6.698E-020 6.692E-016 1.216E-014 1.479E-018 2.741E-014 3.322E-022 5.367E-021 8.915E-016 + 7.079E+014 6.805E-026 6.116E-014 7.597E-020 9.037E-016 1.345E-014 1.694E-018 3.058E-014 4.376E-022 6.653E-021 1.040E-015 + 7.943E+014 9.168E-026 7.341E-014 8.614E-020 1.211E-015 1.487E-014 1.938E-018 3.404E-014 5.764E-022 8.236E-021 1.211E-015 + 8.913E+014 1.232E-025 8.800E-014 9.761E-020 1.608E-015 1.643E-014 2.215E-018 3.782E-014 7.590E-022 1.018E-020 1.408E-015 + 1.000E+015 1.653E-025 1.054E-013 1.106E-019 2.116E-015 1.813E-014 2.529E-018 4.195E-014 9.985E-022 1.257E-020 1.634E-015 + 1.122E+015 2.214E-025 1.260E-013 1.252E-019 2.758E-015 1.999E-014 2.885E-018 4.645E-014 1.312E-021 1.550E-020 1.893E-015 + 1.259E+015 2.960E-025 1.504E-013 1.416E-019 3.555E-015 2.201E-014 3.289E-018 5.134E-014 1.722E-021 1.907E-020 2.191E-015 + 1.413E+015 3.951E-025 1.794E-013 1.601E-019 4.530E-015 2.422E-014 3.745E-018 5.666E-014 2.257E-021 2.343E-020 2.533E-015 + 1.585E+015 5.268E-025 2.137E-013 1.808E-019 5.699E-015 2.663E-014 4.260E-018 6.244E-014 2.950E-021 2.871E-020 2.927E-015 + 1.778E+015 7.015E-025 2.541E-013 2.041E-019 7.074E-015 2.926E-014 4.841E-018 6.871E-014 3.846E-021 3.511E-020 3.379E-015 + 1.995E+015 9.333E-025 3.017E-013 2.302E-019 8.654E-015 3.211E-014 5.496E-018 7.551E-014 4.994E-021 4.282E-020 3.899E-015 + 2.239E+015 1.241E-024 3.576E-013 2.594E-019 1.042E-014 3.522E-014 6.233E-018 8.286E-014 6.445E-021 5.207E-020 4.499E-015 + 2.512E+015 1.648E-024 4.232E-013 2.920E-019 1.235E-014 3.859E-014 7.060E-018 9.081E-014 8.237E-021 6.313E-020 5.191E-015 + 2.818E+015 2.189E-024 4.998E-013 3.283E-019 1.439E-014 4.224E-014 7.988E-018 9.940E-014 1.037E-020 7.627E-020 5.992E-015 + 3.162E+015 2.908E-024 5.893E-013 3.686E-019 1.646E-014 4.619E-014 9.026E-018 1.087E-013 1.277E-020 9.180E-020 6.920E-015 + 3.548E+015 3.863E-024 6.934E-013 4.134E-019 1.850E-014 5.045E-014 1.018E-017 1.187E-013 1.540E-020 1.100E-019 7.998E-015 + 3.981E+015 5.132E-024 8.142E-013 4.630E-019 2.043E-014 5.504E-014 1.148E-017 1.294E-013 1.840E-020 1.313E-019 9.253E-015 + 4.467E+015 6.746E-024 9.520E-013 5.187E-019 2.215E-014 6.043E-014 1.292E-017 1.418E-013 2.250E-020 1.547E-019 1.066E-014 + 5.012E+015 8.523E-024 1.093E-012 5.823E-019 2.374E-014 6.755E-014 1.453E-017 1.585E-013 2.904E-020 1.735E-019 1.200E-014 + 5.623E+015 1.057E-023 1.235E-012 6.506E-019 2.536E-014 7.546E-014 1.629E-017 1.781E-013 3.827E-020 1.901E-019 1.342E-014 + 6.310E+015 1.294E-023 1.382E-012 7.244E-019 2.710E-014 8.418E-014 1.822E-017 2.002E-013 5.077E-020 2.061E-019 1.497E-014 + 7.079E+015 1.560E-023 1.535E-012 8.030E-019 2.901E-014 9.380E-014 2.032E-017 2.245E-013 6.749E-020 2.215E-019 1.659E-014 + 7.943E+015 1.843E-023 1.693E-012 8.815E-019 3.116E-014 1.045E-013 2.253E-017 2.501E-013 8.992E-020 2.344E-019 1.814E-014 + 8.913E+015 2.108E-023 1.854E-012 9.490E-019 3.361E-014 1.166E-013 2.473E-017 2.746E-013 1.209E-019 2.410E-019 1.933E-014 + 1.000E+016 2.302E-023 2.028E-012 9.858E-019 3.647E-014 1.312E-013 2.661E-017 2.934E-013 1.682E-019 2.350E-019 1.970E-014 + 1.122E+016 2.394E-023 2.320E-012 9.738E-019 3.987E-014 1.511E-013 2.776E-017 2.997E-013 2.573E-019 2.115E-019 1.892E-014 + 1.259E+016 2.472E-023 3.192E-012 9.344E-019 4.397E-014 1.849E-013 2.816E-017 2.890E-013 4.782E-019 1.760E-019 1.717E-014 + 1.413E+016 2.813E-023 6.114E-012 1.053E-018 4.911E-014 2.585E-013 3.071E-017 2.640E-013 1.131E-018 1.586E-019 1.501E-014 + 1.585E+016 3.985E-023 1.475E-011 2.173E-018 5.649E-014 4.394E-013 5.433E-017 2.356E-013 3.142E-018 2.448E-019 1.284E-014 + 1.778E+016 6.918E-023 3.605E-011 7.531E-018 7.057E-014 8.663E-013 2.003E-016 2.179E-013 9.052E-018 6.577E-019 1.068E-014 + 1.995E+016 1.235E-022 7.759E-011 2.623E-017 1.060E-013 1.732E-012 9.446E-016 2.298E-013 2.468E-017 1.791E-018 8.373E-015 + 2.239E+016 1.883E-022 1.333E-010 7.283E-017 2.052E-013 3.105E-012 4.146E-015 3.045E-013 5.986E-017 3.765E-018 5.942E-015 + 2.512E+016 2.190E-022 1.704E-010 1.524E-016 4.728E-013 4.756E-012 1.566E-014 5.049E-013 1.270E-016 5.948E-018 3.798E-015 + 2.818E+016 1.839E-022 1.645E-010 2.453E-016 1.116E-012 6.402E-012 5.199E-014 9.771E-013 2.499E-016 8.018E-018 2.338E-015 + 3.162E+016 1.059E-022 1.254E-010 2.970E-016 2.432E-012 7.619E-012 1.525E-013 1.983E-012 4.684E-016 9.531E-018 1.440E-015 + 3.548E+016 4.958E-023 7.367E-011 2.496E-016 4.563E-012 7.668E-012 3.654E-013 3.590E-012 7.799E-016 8.711E-018 8.350E-016 + 3.981E+016 2.596E-023 3.092E-011 1.445E-016 6.947E-012 6.451E-012 6.699E-013 5.124E-012 1.083E-015 5.604E-018 4.322E-016 + 4.467E+016 1.087E-023 8.247E-012 6.405E-017 8.512E-012 4.665E-012 9.451E-013 5.503E-012 1.237E-015 2.654E-018 1.950E-016 + 5.012E+016 3.332E-024 1.244E-012 2.415E-017 8.781E-012 2.889E-012 1.036E-012 4.332E-012 1.132E-015 9.759E-019 6.911E-017 + 5.623E+016 8.176E-025 1.495E-013 7.642E-018 7.994E-012 1.447E-012 8.552E-013 2.417E-012 7.771E-016 2.746E-019 1.611E-017 + 6.310E+016 1.495E-025 3.321E-014 1.812E-018 6.586E-012 5.447E-013 5.078E-013 9.835E-013 3.799E-016 5.818E-020 2.050E-018 + 7.079E+016 1.643E-026 7.895E-015 2.968E-019 4.926E-012 1.534E-013 2.100E-013 4.181E-013 1.290E-016 9.693E-021 1.201E-019 + 7.943E+016 8.261E-028 1.382E-015 3.893E-020 3.295E-012 4.035E-014 5.991E-014 3.394E-013 2.901E-017 1.548E-021 2.977E-021 + 8.913E+016 2.595E-029 1.701E-016 7.526E-021 1.919E-012 1.390E-014 1.208E-014 3.815E-013 4.153E-018 3.199E-022 5.018E-023 + 1.000E+017 3.723E-030 1.526E-017 2.442E-021 9.434E-013 5.540E-015 1.797E-015 4.321E-013 5.128E-019 7.683E-023 2.931E-024 + 1.122E+017 7.385E-031 1.173E-018 9.339E-022 3.790E-013 1.949E-015 2.384E-016 4.767E-013 1.467E-019 1.689E-023 4.891E-025 + 1.259E+017 1.308E-031 1.263E-019 3.946E-022 1.207E-013 5.756E-016 6.214E-017 5.152E-013 7.603E-020 3.294E-024 1.838E-025 + 1.413E+017 2.835E-032 3.797E-020 1.841E-022 2.971E-014 1.611E-016 3.865E-017 5.481E-013 4.161E-020 6.444E-025 1.093E-025 + 1.585E+017 9.419E-033 2.244E-020 9.388E-023 5.630E-015 5.395E-017 3.016E-017 5.761E-013 2.228E-020 1.590E-025 8.008E-026 + 1.778E+017 4.285E-033 1.624E-020 5.246E-023 9.261E-016 2.323E-017 2.487E-017 6.004E-013 1.164E-020 5.313E-026 6.594E-026 + 1.995E+017 2.266E-033 1.312E-020 3.237E-023 2.252E-016 1.117E-017 2.129E-017 6.228E-013 6.070E-021 2.082E-026 5.943E-026 + 2.239E+017 1.309E-033 1.149E-020 2.176E-023 1.161E-016 5.473E-018 1.882E-017 6.436E-013 3.275E-021 8.635E-027 5.701E-026 + 2.512E+017 7.974E-034 1.041E-020 1.527E-023 7.880E-017 2.691E-018 1.692E-017 6.607E-013 1.873E-021 3.662E-027 5.549E-026 + 2.818E+017 4.924E-034 9.303E-021 1.068E-023 5.492E-017 1.337E-018 1.524E-017 6.712E-013 1.137E-021 1.572E-027 5.223E-026 + 3.162E+017 2.987E-034 7.981E-021 7.239E-024 3.763E-017 6.751E-019 1.362E-017 6.724E-013 7.292E-022 6.791E-028 4.602E-026 + 3.548E+017 1.745E-034 6.519E-021 4.699E-024 2.507E-017 3.452E-019 1.200E-017 6.630E-013 4.942E-022 2.931E-028 3.717E-026 + 3.981E+017 9.732E-035 5.081E-021 2.923E-024 1.618E-017 1.773E-019 1.043E-017 6.426E-013 3.549E-022 1.253E-028 2.693E-026 + 4.467E+017 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3.148E-021 2.513E-020 3.166E-024 1.078E-024 2.400E-009 5.000E-001 + 7.943E+015 5.312E-022 4.925E-018 4.335E-021 6.527E-020 5.866E-024 1.917E-024 2.768E-009 5.000E-001 + 8.913E+015 1.637E-021 1.001E-017 7.730E-021 2.678E-019 1.308E-023 3.981E-024 3.289E-009 5.000E-001 + 1.000E+016 6.685E-021 2.876E-017 2.053E-020 1.751E-018 3.802E-023 1.067E-023 4.087E-009 5.000E-001 + 1.122E+016 3.257E-020 1.188E-016 8.089E-020 1.564E-017 1.499E-022 4.037E-023 5.343E-009 5.000E-001 + 1.259E+016 1.893E-019 6.869E-016 4.171E-019 1.473E-016 8.255E-022 2.243E-022 7.452E-009 5.000E-001 + 1.413E+016 1.348E-018 5.254E-015 2.591E-018 1.221E-015 6.312E-021 1.711E-021 1.056E-008 5.000E-001 + 1.585E+016 1.044E-017 4.527E-014 1.960E-017 8.209E-015 5.923E-020 1.520E-020 1.533E-008 5.000E-001 + 1.778E+016 7.334E-017 3.742E-013 1.669E-016 4.232E-014 6.097E-019 1.378E-019 2.281E-008 5.000E-001 + 1.995E+016 4.073E-016 2.712E-012 1.300E-015 1.550E-013 6.921E-018 1.181E-018 3.579E-008 5.000E-001 + 2.239E+016 1.619E-015 1.648E-011 7.799E-015 3.674E-013 8.706E-017 9.092E-018 5.847E-008 5.000E-001 + 2.512E+016 4.405E-015 8.154E-011 3.402E-014 5.469E-013 1.112E-015 6.390E-017 1.048E-007 5.000E-001 + 2.818E+016 8.391E-015 3.176E-010 1.109E-013 5.465E-013 1.288E-014 4.407E-016 1.772E-007 5.000E-001 + 3.162E+016 1.154E-014 9.269E-010 2.623E-013 3.716E-013 1.232E-013 2.846E-015 2.950E-007 5.000E-001 + 3.548E+016 1.224E-014 1.944E-009 3.972E-013 1.896E-013 9.025E-013 1.512E-014 5.090E-007 5.000E-001 + 3.981E+016 1.124E-014 2.898E-009 3.605E-013 1.193E-013 4.889E-012 6.406E-014 9.358E-007 5.000E-001 + 4.467E+016 9.220E-015 3.120E-009 2.127E-013 8.867E-014 1.980E-011 2.290E-013 1.709E-006 5.000E-001 + 5.012E+016 6.988E-015 2.469E-009 9.353E-014 4.951E-014 6.101E-011 6.988E-013 3.024E-006 5.000E-001 + 5.623E+016 5.092E-015 1.444E-009 3.499E-014 1.705E-014 1.428E-010 1.745E-012 5.144E-006 4.999E-001 + 6.310E+016 3.366E-015 6.237E-010 1.435E-014 3.377E-015 2.487E-010 3.424E-012 8.358E-006 4.999E-001 + 7.079E+016 1.871E-015 2.046E-010 8.602E-015 4.334E-016 3.106E-010 5.108E-012 1.268E-005 4.999E-001 + 7.943E+016 8.386E-016 5.566E-011 6.589E-015 5.568E-017 2.716E-010 5.763E-012 1.801E-005 4.999E-001 + 8.913E+016 3.003E-016 1.446E-011 4.879E-015 9.026E-018 1.690E-010 5.116E-012 2.496E-005 4.999E-001 + 1.000E+017 8.526E-017 4.178E-012 3.183E-015 1.718E-018 7.854E-011 3.756E-012 3.366E-005 4.999E-001 + 1.122E+017 1.873E-017 1.456E-012 1.822E-015 3.475E-019 2.853E-011 2.339E-012 4.437E-005 4.999E-001 + 1.259E+017 3.200E-018 5.699E-013 9.147E-016 6.722E-020 8.216E-012 1.232E-012 5.745E-005 4.999E-001 + 1.413E+017 4.672E-019 2.168E-013 3.939E-016 1.247E-020 1.838E-012 5.341E-013 7.266E-005 4.999E-001 + 1.585E+017 6.830E-020 7.201E-014 1.411E-016 2.522E-021 3.050E-013 1.822E-013 8.959E-005 4.999E-001 + 1.778E+017 9.962E-021 1.979E-014 4.097E-017 5.526E-022 3.564E-014 4.638E-014 1.097E-004 4.999E-001 + 1.995E+017 1.227E-021 4.374E-015 9.479E-018 1.096E-022 2.916E-015 8.606E-015 1.292E-004 4.999E-001 + 2.239E+017 1.160E-022 7.598E-016 1.718E-018 1.759E-023 1.877E-016 1.237E-015 1.510E-004 4.999E-001 + 2.512E+017 8.469E-024 1.010E-016 2.377E-019 2.280E-024 1.206E-017 1.629E-016 1.724E-004 4.999E-001 + 2.818E+017 5.198E-025 1.002E-017 2.443E-020 2.600E-025 9.366E-019 2.361E-017 1.989E-004 4.999E-001 + 3.162E+017 3.211E-026 7.403E-019 1.854E-021 2.962E-026 9.333E-020 4.083E-018 2.314E-004 4.999E-001 + 3.548E+017 2.431E-027 4.444E-020 1.133E-022 3.577E-027 1.143E-020 8.017E-019 2.748E-004 4.999E-001 + 3.981E+017 2.208E-028 2.847E-021 7.292E-024 4.414E-028 1.494E-021 1.575E-019 3.333E-004 4.999E-001 + 4.467E+017 2.115E-029 2.182E-022 1.453E-024 5.327E-029 1.825E-022 2.806E-020 3.997E-004 4.998E-001 + 5.012E+017 1.585E-030 2.177E-023 5.174E-026 5.158E-030 1.521E-023 4.302E-021 4.862E-004 4.998E-001 + 5.623E+017 8.012E-032 1.708E-024 5.100E-027 2.410E-031 3.076E-025 6.037E-022 5.105E-004 4.998E-001 + 6.310E+017 1.414E-032 1.727E-025 6.543E-028 3.494E-032 2.260E-026 8.986E-023 5.114E-004 4.998E-001 + 7.079E+017 3.879E-033 1.925E-026 9.338E-029 6.605E-033 1.852E-027 1.417E-023 5.118E-004 4.998E-001 + 7.943E+017 1.397E-033 2.351E-027 1.450E-029 1.545E-033 1.549E-028 2.320E-024 5.122E-004 4.998E-001 + 8.913E+017 5.556E-034 3.363E-028 3.316E-030 4.362E-034 1.301E-029 3.874E-025 5.125E-004 4.998E-001 + 1.000E+018 2.248E-034 6.146E-029 4.944E-031 1.437E-034 1.068E-030 6.462E-026 5.127E-004 4.998E-001 + RADIUS C10H3+ HC9N H2C9N+ H3C9N+ C11 C11+ e- H2 + + + diff --git a/data/train/20210527_gridC_Mdot2e-5_v20_T_eps_model_2023-01-10h12-04-32/csphyspar_smooth.out b/data/train/20210527_gridC_Mdot2e-5_v20_T_eps_model_2023-01-10h12-04-32/csphyspar_smooth.out new file mode 100644 index 0000000..db13f12 --- /dev/null +++ b/data/train/20210527_gridC_Mdot2e-5_v20_T_eps_model_2023-01-10h12-04-32/csphyspar_smooth.out @@ -0,0 +1,85 @@ + ** 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 2.254E+009 4.200E+002 5.605E+002 1.850E-246 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 8.408E+002 + 1.122E+014 1.791E+009 3.743E+002 4.996E+002 6.161E-220 5.005E-264 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 9.017E+002 + 1.259E+014 1.422E+009 3.336E+002 4.452E+002 2.678E-196 1.355E-235 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 9.561E+002 + 1.413E+014 1.130E+009 2.973E+002 3.968E+002 3.128E-175 1.855E-211 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 1.004E+003 + 1.585E+014 8.974E+008 2.650E+002 3.537E+002 1.870E-156 1.681E-190 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 1.048E+003 + 1.778E+014 7.128E+008 2.362E+002 3.152E+002 1.015E-139 2.129E-171 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 1.086E+003 + 1.995E+014 5.662E+008 2.105E+002 2.809E+002 8.336E-125 3.470E-154 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 1.120E+003 + 2.239E+014 4.498E+008 1.876E+002 2.504E+002 1.636E-111 3.153E-137 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 1.151E+003 + 2.512E+014 3.573E+008 1.672E+002 2.231E+002 1.151E-099 2.276E-124 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 1.178E+003 + 2.818E+014 2.838E+008 1.490E+002 1.989E+002 4.168E-089 1.124E-111 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 1.202E+003 + 3.162E+014 2.254E+008 1.328E+002 1.773E+002 1.074E-079 1.483E-101 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 1.224E+003 + 3.548E+014 1.791E+008 1.184E+002 1.580E+002 2.629E-071 4.741E-091 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 1.243E+003 + 3.981E+014 1.422E+008 1.055E+002 1.408E+002 7.908E-064 2.530E-082 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 1.260E+003 + 4.467E+014 1.130E+008 9.403E+001 1.255E+002 3.684E-057 5.117E-075 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 1.276E+003 + 5.012E+014 8.974E+007 8.380E+001 1.118E+002 3.269E-051 9.090E-068 0.000E+000 0.000E+000 2.241E-055 0.000E+000 0.000E+000 1.289E+003 + 5.623E+014 7.128E+007 7.469E+001 9.968E+001 6.650E-046 2.617E-062 0.000E+000 0.000E+000 6.903E-052 0.000E+000 0.000E+000 1.302E+003 + 6.310E+014 5.662E+007 6.657E+001 8.884E+001 3.658E-041 1.363E-056 0.000E+000 0.000E+000 3.530E-048 0.000E+000 0.000E+000 1.312E+003 + 7.079E+014 4.498E+007 5.933E+001 7.918E+001 6.298E-037 1.579E-051 0.000E+000 0.000E+000 7.692E-045 0.000E+000 0.000E+000 1.322E+003 + 7.943E+014 3.573E+007 5.287E+001 7.056E+001 3.857E-033 5.043E-047 0.000E+000 0.000E+000 7.979E-042 0.000E+000 0.000E+000 1.331E+003 + 8.913E+014 2.838E+007 4.712E+001 6.289E+001 9.400E-030 4.412E-043 0.000E+000 0.000E+000 3.821E-039 0.000E+000 0.000E+000 1.338E+003 + 1.000E+015 2.254E+007 4.200E+001 5.605E+001 1.005E-026 8.105E-040 0.000E+000 0.000E+000 6.833E-037 0.000E+000 0.000E+000 1.345E+003 + 1.122E+015 1.791E+007 3.743E+001 4.996E+001 5.144E-024 1.226E-036 0.000E+000 0.000E+000 1.155E-034 0.000E+000 0.000E+000 1.351E+003 + 1.259E+015 1.422E+007 3.336E+001 4.452E+001 1.359E-021 1.546E-033 0.000E+000 0.000E+000 1.871E-032 0.000E+000 0.000E+000 1.357E+003 + 1.413E+015 1.130E+007 2.973E+001 3.968E+001 1.983E-019 1.160E-031 0.000E+000 0.000E+000 4.262E-031 0.000E+000 0.000E+000 1.362E+003 + 1.585E+015 8.974E+006 2.650E+001 3.537E+001 1.702E-017 3.821E-029 0.000E+000 0.000E+000 3.031E-029 0.000E+000 0.000E+000 1.366E+003 + 1.778E+015 7.128E+006 2.362E+001 3.152E+001 9.073E-016 2.052E-027 0.000E+000 0.000E+000 5.983E-028 0.000E+000 0.000E+000 1.370E+003 + 1.995E+015 5.662E+006 2.105E+001 2.809E+001 3.160E-014 2.064E-025 0.000E+000 0.000E+000 2.011E-026 0.000E+000 0.000E+000 1.373E+003 + 2.239E+015 4.498E+006 1.876E+001 2.504E+001 7.522E-013 7.641E-024 0.000E+000 0.000E+000 3.334E-025 0.000E+000 0.000E+000 1.376E+003 + 2.512E+015 3.573E+006 1.672E+001 2.231E+001 1.276E-011 1.179E-022 0.000E+000 0.000E+000 2.905E-024 0.000E+000 0.000E+000 1.379E+003 + 2.818E+015 2.838E+006 1.490E+001 1.989E+001 1.599E-010 2.368E-021 0.000E+000 0.000E+000 3.249E-023 0.000E+000 0.000E+000 1.381E+003 + 3.162E+015 2.254E+006 1.328E+001 1.773E+001 1.533E-009 4.217E-020 0.000E+000 0.000E+000 3.457E-022 0.000E+000 0.000E+000 1.384E+003 + 3.548E+015 1.791E+006 1.184E+001 1.580E+001 1.159E-008 3.201E-019 0.000E+000 0.000E+000 1.883E-021 0.000E+000 0.000E+000 1.385E+003 + 3.981E+015 1.422E+006 1.055E+001 1.408E+001 7.092E-008 2.830E-018 0.000E+000 0.000E+000 1.203E-020 0.000E+000 0.000E+000 1.387E+003 + 4.467E+015 1.130E+006 1.000E+001 1.255E+001 3.600E-007 1.762E-017 0.000E+000 0.000E+000 5.860E-020 0.000E+000 0.000E+000 1.389E+003 + 5.012E+015 8.974E+005 1.000E+001 1.118E+001 1.547E-006 1.042E-016 0.000E+000 0.000E+000 2.807E-019 0.000E+000 0.000E+000 1.390E+003 + 5.623E+015 7.128E+005 1.000E+001 9.968E+000 5.736E-006 5.273E-016 0.000E+000 0.000E+000 1.204E-018 0.000E+000 0.000E+000 1.391E+003 + 6.310E+015 5.662E+005 1.000E+001 8.884E+000 1.863E-005 1.693E-015 0.000E+000 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a/data/train/20210527_gridC_Mdot2e-5_v20_T_eps_model_2023-01-10h12-04-32/input.txt b/data/train/20210527_gridC_Mdot2e-5_v20_T_eps_model_2023-01-10h12-04-32/input.txt new file mode 100644 index 0000000..4f219d9 --- /dev/null +++ b/data/train/20210527_gridC_Mdot2e-5_v20_T_eps_model_2023-01-10h12-04-32/input.txt @@ -0,0 +1,57 @@ +! INPUT PARAMETERS FOR THE RATE13_CSE_MODEL +! +! PHYSICAL PARAMETERS OF THE CIRCUMSTELLAR ENVELOPE +R_STAR = 20000000000000 +T_STAR = 2100.0 +MLOSS = 2e-05 +VELOCITY = 2000000 +TEMPMODE = EPSILON +EPSILON_TEMP_LAW = 1.0 +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 = 0.05 +! +! 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_Mdot2e-5_v20_T_eps_A/models/model_2023-01-10h12-04-32/" +SRC_CHEMISTRY = "src-IP-AP-HNR/" \ No newline at end of file diff --git a/data/train/20211014_gridC_Mdot1e-7_v7-5_T_eps_model_2022-12-26h18-24-01/csfrac_smooth.out b/data/train/20211014_gridC_Mdot1e-7_v7-5_T_eps_model_2022-12-26h18-24-01/csfrac_smooth.out new file mode 100644 index 0000000..c21cf4d --- /dev/null +++ b/data/train/20211014_gridC_Mdot1e-7_v7-5_T_eps_model_2022-12-26h18-24-01/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 5.216E-010 2.363E-014 5.652E-016 2.179E-016 2.089E-013 8.500E-002 2.487E-014 3.210E-018 6.077E-023 5.510E-014 + 1.148E+014 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7.327E-021 + 6.457E+017 1.054E-024 2.664E-040 3.802E-022 4.040E-028 2.940E-035 1.387E-027 2.042E-040 2.050E-042 1.230E-022 5.970E-021 + 6.918E+017 7.430E-025 1.590E-040 2.968E-022 3.355E-028 1.998E-035 1.232E-027 1.399E-040 1.252E-042 1.373E-022 4.744E-021 + 7.413E+017 5.208E-025 9.384E-041 2.305E-022 2.779E-028 1.351E-035 1.093E-027 9.481E-041 7.615E-043 1.532E-022 3.671E-021 + 7.943E+017 3.630E-025 5.475E-041 1.781E-022 2.297E-028 9.092E-036 9.681E-028 6.352E-041 4.620E-043 1.708E-022 2.761E-021 + 8.511E+017 2.515E-025 3.160E-041 1.369E-022 1.894E-028 6.090E-036 8.560E-028 4.210E-041 2.795E-043 1.903E-022 2.015E-021 + 9.120E+017 1.733E-025 1.805E-041 1.047E-022 1.558E-028 4.060E-036 7.560E-028 2.762E-041 1.686E-043 2.119E-022 1.425E-021 + 9.772E+017 1.186E-025 1.021E-041 7.963E-023 1.279E-028 2.694E-036 6.668E-028 1.794E-041 1.015E-043 2.358E-022 9.748E-022 + 1.047E+018 8.074E-026 5.715E-042 6.030E-023 1.048E-028 1.779E-036 5.875E-028 1.154E-041 6.090E-044 2.625E-022 6.435E-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 1.051E-029 3.214E-016 5.418E-021 1.914E-020 1.409E-015 4.750E-020 1.319E-015 7.740E-025 5.579E-023 6.169E-017 + 1.148E+014 9.407E-029 9.566E-016 1.209E-020 1.636E-019 3.153E-015 1.065E-019 3.035E-015 3.806E-024 1.378E-022 1.323E-016 + 1.230E+014 3.192E-028 1.745E-015 1.920E-020 5.772E-019 5.008E-015 1.705E-019 5.208E-015 1.117E-023 2.301E-022 2.089E-016 + 1.318E+014 7.256E-028 2.674E-015 2.670E-020 1.424E-018 6.954E-015 2.398E-019 7.908E-015 2.694E-023 3.328E-022 2.909E-016 + 1.413E+014 1.311E-027 3.768E-015 3.447E-020 2.895E-018 8.963E-015 3.143E-019 1.119E-014 5.866E-023 4.453E-022 3.774E-016 + 1.514E+014 2.025E-027 5.074E-015 4.238E-020 5.219E-018 1.101E-014 3.941E-019 1.508E-014 1.196E-022 5.666E-022 4.670E-016 + 1.622E+014 2.777E-027 6.671E-015 5.020E-020 8.683E-018 1.305E-014 4.789E-019 1.954E-014 2.325E-022 6.944E-022 5.571E-016 + 1.738E+014 3.456E-027 8.694E-015 5.763E-020 1.364E-017 1.506E-014 5.681E-019 2.451E-014 4.353E-022 8.250E-022 6.439E-016 + 1.862E+014 3.952E-027 1.139E-014 6.423E-020 2.055E-017 1.705E-014 6.605E-019 2.981E-014 7.898E-022 9.521E-022 7.218E-016 + 1.995E+014 4.206E-027 1.520E-014 6.946E-020 2.991E-017 1.911E-014 7.543E-019 3.522E-014 1.395E-021 1.067E-021 7.837E-016 + 2.138E+014 4.247E-027 2.093E-014 7.275E-020 4.233E-017 2.157E-014 8.468E-019 4.043E-014 2.403E-021 1.161E-021 8.218E-016 + 2.291E+014 4.244E-027 3.003E-014 7.364E-020 5.843E-017 2.510E-014 9.350E-019 4.507E-014 4.052E-021 1.223E-021 8.297E-016 + 2.455E+014 4.516E-027 4.500E-014 7.203E-020 7.899E-017 3.104E-014 1.016E-018 4.877E-014 6.705E-021 1.250E-021 8.053E-016 + 2.630E+014 5.530E-027 7.007E-014 6.840E-020 1.053E-016 4.162E-014 1.088E-018 5.120E-014 1.093E-020 1.245E-021 7.530E-016 + 2.818E+014 7.895E-027 1.121E-013 6.406E-020 1.398E-016 6.029E-014 1.155E-018 5.221E-014 1.765E-020 1.231E-021 6.837E-016 + 3.020E+014 1.245E-026 1.820E-013 6.132E-020 1.885E-016 9.205E-014 1.232E-018 5.184E-014 2.835E-020 1.246E-021 6.113E-016 + 3.236E+014 2.048E-026 2.961E-013 6.392E-020 2.636E-016 1.438E-013 1.357E-018 5.037E-014 4.561E-020 1.358E-021 5.479E-016 + 3.467E+014 3.409E-026 4.791E-013 7.800E-020 3.895E-016 2.252E-013 1.617E-018 4.830E-014 7.392E-020 1.674E-021 4.999E-016 + 3.715E+014 5.674E-026 7.664E-013 1.144E-019 6.114E-016 3.490E-013 2.190E-018 4.625E-014 1.212E-019 2.373E-021 4.682E-016 + 3.981E+014 9.410E-026 1.208E-012 1.927E-019 1.009E-015 5.327E-013 3.433E-018 4.488E-014 2.013E-019 3.754E-021 4.502E-016 + 4.266E+014 1.554E-025 1.872E-012 3.485E-019 1.718E-015 7.993E-013 6.052E-018 4.486E-014 3.387E-019 6.323E-021 4.426E-016 + 4.571E+014 2.556E-025 2.852E-012 6.447E-019 2.960E-015 1.179E-012 1.140E-017 4.690E-014 5.757E-019 1.091E-020 4.425E-016 + 4.898E+014 4.190E-025 4.269E-012 1.189E-018 5.095E-015 1.708E-012 2.202E-017 5.182E-014 9.844E-019 1.887E-020 4.482E-016 + 5.248E+014 6.849E-025 6.281E-012 2.161E-018 8.683E-015 2.435E-012 4.267E-017 6.070E-014 1.685E-018 3.224E-020 4.583E-016 + 5.623E+014 1.117E-024 9.083E-012 3.848E-018 1.459E-014 3.413E-012 8.200E-017 7.501E-014 2.873E-018 5.412E-020 4.719E-016 + 6.026E+014 1.813E-024 1.291E-011 6.699E-018 2.410E-014 4.704E-012 1.556E-016 9.685E-014 4.860E-018 8.889E-020 4.882E-016 + 6.457E+014 2.929E-024 1.805E-011 1.139E-017 3.910E-014 6.375E-012 2.912E-016 1.292E-013 8.128E-018 1.425E-019 5.062E-016 + 6.918E+014 4.691E-024 2.480E-011 1.889E-017 6.228E-014 8.488E-012 5.364E-016 1.759E-013 1.341E-017 2.225E-019 5.250E-016 + 7.413E+014 7.425E-024 3.348E-011 3.055E-017 9.734E-014 1.109E-011 9.723E-016 2.426E-013 2.175E-017 3.377E-019 5.431E-016 + 7.943E+014 1.156E-023 4.433E-011 4.808E-017 1.492E-013 1.421E-011 1.732E-015 3.361E-013 3.468E-017 4.967E-019 5.591E-016 + 8.511E+014 1.765E-023 5.753E-011 7.355E-017 2.242E-013 1.780E-011 3.030E-015 4.653E-013 5.421E-017 7.059E-019 5.711E-016 + 9.120E+014 2.629E-023 7.302E-011 1.092E-016 3.302E-013 2.178E-011 5.191E-015 6.408E-013 8.298E-017 9.659E-019 5.770E-016 + 9.772E+014 3.810E-023 9.046E-011 1.569E-016 4.768E-013 2.596E-011 8.697E-015 8.745E-013 1.242E-016 1.268E-018 5.751E-016 + 1.047E+015 5.355E-023 1.092E-010 2.180E-016 6.748E-013 3.009E-011 1.421E-014 1.178E-012 1.813E-016 1.590E-018 5.638E-016 + 1.122E+015 7.273E-023 1.281E-010 2.923E-016 9.358E-013 3.384E-011 2.261E-014 1.564E-012 2.577E-016 1.901E-018 5.424E-016 + 1.202E+015 9.511E-023 1.460E-010 3.781E-016 1.271E-012 3.692E-011 3.497E-014 2.041E-012 3.567E-016 2.165E-018 5.116E-016 + 1.288E+015 1.193E-022 1.617E-010 4.719E-016 1.689E-012 3.908E-011 5.250E-014 2.615E-012 4.806E-016 2.350E-018 4.734E-016 + 1.380E+015 1.433E-022 1.745E-010 5.688E-016 2.192E-012 4.019E-011 7.659E-014 3.293E-012 6.318E-016 2.441E-018 4.311E-016 + 1.479E+015 1.644E-022 1.840E-010 6.631E-016 2.776E-012 4.021E-011 1.087E-013 4.075E-012 8.136E-016 2.438E-018 3.880E-016 + 1.585E+015 1.800E-022 1.904E-010 7.481E-016 3.427E-012 3.922E-011 1.502E-013 4.960E-012 1.030E-015 2.351E-018 3.469E-016 + 1.698E+015 1.878E-022 1.940E-010 8.165E-016 4.124E-012 3.733E-011 2.025E-013 5.931E-012 1.288E-015 2.197E-018 3.092E-016 + 1.820E+015 1.864E-022 1.954E-010 8.608E-016 4.837E-012 3.467E-011 2.661E-013 6.951E-012 1.591E-015 1.990E-018 2.750E-016 + 1.950E+015 1.757E-022 1.947E-010 8.738E-016 5.530E-012 3.142E-011 3.402E-013 7.952E-012 1.935E-015 1.743E-018 2.431E-016 + 2.089E+015 1.568E-022 1.922E-010 8.509E-016 6.168E-012 2.776E-011 4.224E-013 8.837E-012 2.306E-015 1.471E-018 2.123E-016 + 2.239E+015 1.324E-022 1.880E-010 7.915E-016 6.717E-012 2.390E-011 5.077E-013 9.491E-012 2.673E-015 1.192E-018 1.816E-016 + 2.399E+015 1.058E-022 1.822E-010 7.007E-016 7.150E-012 2.005E-011 5.894E-013 9.808E-012 2.991E-015 9.248E-019 1.507E-016 + 2.570E+015 8.017E-023 1.747E-010 5.885E-016 7.448E-012 1.638E-011 6.600E-013 9.715E-012 3.210E-015 6.860E-019 1.204E-016 + 2.754E+015 5.786E-023 1.656E-010 4.676E-016 7.605E-012 1.302E-011 7.123E-013 9.203E-012 3.287E-015 4.863E-019 9.193E-017 + 2.951E+015 3.996E-023 1.547E-010 3.505E-016 7.623E-012 1.007E-011 7.409E-013 8.325E-012 3.203E-015 3.295E-019 6.671E-017 + 3.162E+015 2.650E-023 1.417E-010 2.473E-016 7.510E-012 7.568E-012 7.430E-013 7.190E-012 2.964E-015 2.137E-019 4.581E-017 + 3.388E+015 1.690E-023 1.266E-010 1.636E-016 7.280E-012 5.507E-012 7.183E-013 5.935E-012 2.602E-015 1.326E-019 2.963E-017 + 3.631E+015 1.035E-023 1.094E-010 1.012E-016 6.948E-012 3.867E-012 6.696E-013 4.692E-012 2.168E-015 7.867E-020 1.799E-017 + 3.890E+015 6.076E-024 9.052E-011 5.827E-017 6.532E-012 2.611E-012 6.017E-013 3.571E-012 1.715E-015 4.465E-020 1.020E-017 + 4.169E+015 3.400E-024 7.110E-011 3.109E-017 6.049E-012 1.688E-012 5.211E-013 2.638E-012 1.290E-015 2.420E-020 5.384E-018 + 4.467E+015 1.803E-024 5.253E-011 1.530E-017 5.518E-012 1.040E-012 4.348E-013 1.918E-012 9.259E-016 1.252E-020 2.630E-018 + 4.786E+015 9.002E-025 3.628E-011 6.906E-018 4.958E-012 6.086E-013 3.492E-013 1.404E-012 6.358E-016 6.181E-021 1.184E-018 + 5.129E+015 4.198E-025 2.338E-011 2.850E-018 4.386E-012 3.377E-013 2.699E-013 1.064E-012 4.197E-016 2.909E-021 4.886E-019 + 5.495E+015 1.812E-025 1.410E-011 1.072E-018 3.817E-012 1.778E-013 2.007E-013 8.576E-013 2.675E-016 1.308E-021 1.840E-019 + 5.888E+015 7.165E-026 8.019E-012 3.681E-019 3.268E-012 8.935E-014 1.435E-013 7.443E-013 1.653E-016 5.652E-022 6.292E-020 + 6.310E+015 2.569E-026 4.341E-012 1.165E-019 2.748E-012 4.348E-014 9.864E-014 6.902E-013 9.928E-017 2.379E-022 1.945E-020 + 6.761E+015 8.268E-027 2.261E-012 3.501E-020 2.269E-012 2.111E-014 6.525E-014 6.703E-013 5.800E-017 1.004E-022 5.421E-021 + 7.244E+015 2.374E-027 1.143E-012 1.074E-020 1.838E-012 1.071E-014 4.155E-014 6.686E-013 3.294E-017 4.445E-023 1.362E-021 + 7.762E+015 6.116E-028 5.642E-013 3.785E-021 1.458E-012 5.964E-015 2.550E-014 6.754E-013 1.816E-017 2.167E-023 3.117E-022 + 8.318E+015 1.472E-028 2.727E-013 1.693E-021 1.132E-012 3.711E-015 1.509E-014 6.859E-013 9.705E-018 1.185E-023 6.753E-023 + 8.913E+015 3.756E-029 1.293E-013 9.401E-022 8.601E-013 2.513E-015 8.611E-015 6.977E-013 5.031E-018 7.083E-024 1.526E-023 + 9.550E+015 1.241E-029 6.018E-014 5.912E-022 6.383E-013 1.771E-015 4.742E-015 7.098E-013 2.537E-018 4.433E-024 4.232E-024 + 1.023E+016 5.550E-030 2.747E-014 3.938E-022 4.624E-013 1.255E-015 2.521E-015 7.216E-013 1.254E-018 2.806E-024 1.602E-024 + 1.096E+016 2.873E-030 1.230E-014 2.696E-022 3.269E-013 8.752E-016 1.296E-015 7.330E-013 6.165E-019 1.762E-024 7.882E-025 + 1.175E+016 1.528E-030 5.391E-015 1.875E-022 2.253E-013 5.958E-016 6.455E-016 7.439E-013 3.091E-019 1.088E-024 4.627E-025 + 1.259E+016 8.061E-031 2.312E-015 1.320E-022 1.513E-013 3.946E-016 3.145E-016 7.542E-013 1.631E-019 6.587E-025 3.096E-025 + 1.349E+016 4.214E-031 9.676E-016 9.413E-023 9.895E-014 2.545E-016 1.528E-016 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1.070E-038 2.911E-034 2.785E-034 7.810E-037 2.550E-038 2.494E-028 5.146E-004 4.998E-001 + 6.457E+017 4.319E-039 1.197E-034 1.322E-034 4.943E-037 3.724E-039 6.242E-029 5.147E-004 4.998E-001 + 6.918E+017 1.762E-039 5.879E-035 7.487E-035 3.272E-037 5.068E-040 1.457E-029 5.150E-004 4.998E-001 + 7.413E+017 7.355E-040 3.173E-035 4.656E-035 2.284E-037 6.466E-041 3.185E-030 5.152E-004 4.998E-001 + 7.943E+017 3.176E-040 1.786E-035 3.014E-035 1.682E-037 7.867E-042 6.596E-031 5.155E-004 4.998E-001 + 8.511E+017 1.429E-040 1.024E-035 1.987E-035 1.296E-037 9.509E-043 1.328E-031 5.158E-004 4.998E-001 + 9.120E+017 6.706E-041 5.941E-036 1.323E-035 1.034E-037 1.251E-043 2.724E-032 5.161E-004 4.998E-001 + 9.772E+017 3.268E-041 3.480E-036 8.889E-036 8.460E-038 2.079E-044 6.138E-033 5.165E-004 4.998E-001 + 1.047E+018 1.641E-041 2.056E-036 6.021E-036 7.035E-038 4.851E-045 1.650E-033 5.170E-004 4.998E-001 + RADIUS C10H3+ HC9N H2C9N+ H3C9N+ C11 C11+ e- H2 + + + diff --git a/data/train/20211014_gridC_Mdot1e-7_v7-5_T_eps_model_2022-12-26h18-24-01/csphyspar_smooth.out b/data/train/20211014_gridC_Mdot1e-7_v7-5_T_eps_model_2022-12-26h18-24-01/csphyspar_smooth.out new file mode 100644 index 0000000..f1e989a --- /dev/null +++ b/data/train/20211014_gridC_Mdot1e-7_v7-5_T_eps_model_2022-12-26h18-24-01/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 3.005E+007 8.752E+002 7.474E+000 8.777E-005 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 1.121E+001 + 1.072E+014 2.618E+007 8.338E+002 6.975E+000 1.527E-004 1.739E-014 0.000E+000 0.000E+000 1.163E-017 0.000E+000 0.000E+000 1.171E+001 + 1.148E+014 2.280E+007 7.945E+002 6.509E+000 2.569E-004 3.196E-014 0.000E+000 0.000E+000 2.088E-017 0.000E+000 0.000E+000 1.217E+001 + 1.230E+014 1.986E+007 7.570E+002 6.075E+000 4.184E-004 5.513E-014 0.000E+000 0.000E+000 3.551E-017 0.000E+000 0.000E+000 1.261E+001 + 1.318E+014 1.729E+007 7.212E+002 5.669E+000 6.615E-004 9.217E-014 0.000E+000 0.000E+000 5.891E-017 0.000E+000 0.000E+000 1.301E+001 + 1.413E+014 1.506E+007 6.872E+002 5.291E+000 1.017E-003 1.533E-013 0.000E+000 0.000E+000 9.789E-017 0.000E+000 0.000E+000 1.339E+001 + 1.514E+014 1.312E+007 6.548E+002 4.938E+000 1.522E-003 2.440E-013 0.000E+000 0.000E+000 1.566E-016 0.000E+000 0.000E+000 1.375E+001 + 1.622E+014 1.143E+007 6.239E+002 4.608E+000 2.224E-003 3.669E-013 0.000E+000 0.000E+000 2.380E-016 0.000E+000 0.000E+000 1.408E+001 + 1.738E+014 9.952E+006 5.944E+002 4.301E+000 3.175E-003 5.635E-013 0.000E+000 0.000E+000 3.716E-016 0.000E+000 0.000E+000 1.438E+001 + 1.862E+014 8.668E+006 5.663E+002 4.014E+000 4.436E-003 8.261E-013 0.000E+000 0.000E+000 5.562E-016 0.000E+000 0.000E+000 1.467E+001 + 1.995E+014 7.549E+006 5.396E+002 3.746E+000 6.074E-003 1.177E-012 0.000E+000 0.000E+000 8.119E-016 0.000E+000 0.000E+000 1.494E+001 + 2.138E+014 6.575E+006 5.141E+002 3.496E+000 8.162E-003 1.633E-012 0.000E+000 0.000E+000 1.158E-015 0.000E+000 0.000E+000 1.519E+001 + 2.291E+014 5.727E+006 4.899E+002 3.262E+000 1.078E-002 2.265E-012 0.000E+000 0.000E+000 1.660E-015 0.000E+000 0.000E+000 1.542E+001 + 2.455E+014 4.988E+006 4.668E+002 3.045E+000 1.400E-002 2.980E-012 0.000E+000 0.000E+000 2.254E-015 0.000E+000 0.000E+000 1.564E+001 + 2.630E+014 4.344E+006 4.447E+002 2.841E+000 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9.772E+017 3.147E-001 1.000E+001 7.648E-004 9.981E-001 3.493E-010 0.000E+000 0.000E+000 2.392E-010 0.000E+000 0.000E+000 1.868E+001 + 1.047E+018 2.741E-001 1.000E+001 7.137E-004 9.982E-001 3.493E-010 0.000E+000 0.000E+000 2.392E-010 0.000E+000 0.000E+000 1.868E+001 diff --git a/data/train/20211014_gridC_Mdot1e-7_v7-5_T_eps_model_2022-12-26h18-24-01/input.txt b/data/train/20211014_gridC_Mdot1e-7_v7-5_T_eps_model_2022-12-26h18-24-01/input.txt new file mode 100644 index 0000000..0fd35c4 --- /dev/null +++ b/data/train/20211014_gridC_Mdot1e-7_v7-5_T_eps_model_2022-12-26h18-24-01/input.txt @@ -0,0 +1,57 @@ +! INPUT PARAMETERS FOR THE RATE13_CSE_MODEL +! +! PHYSICAL PARAMETERS OF THE CIRCUMSTELLAR ENVELOPE +R_STAR = 20000000000000 +T_STAR = 2700.0 +MLOSS = 1e-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_Mdot1e-7_v7-5_T_eps/models/model_2022-12-26h18-24-01/" +SRC_CHEMISTRY = "src-IP-AP-HNR/" \ No newline at end of file diff --git a/data/train/20211014_gridC_Mdot1e-8_v5_T_eps_model_2022-12-25h08-12-47/csfrac_smooth.out b/data/train/20211014_gridC_Mdot1e-8_v5_T_eps_model_2022-12-25h08-12-47/csfrac_smooth.out new file mode 100644 index 0000000..fc75a69 --- /dev/null +++ b/data/train/20211014_gridC_Mdot1e-8_v5_T_eps_model_2022-12-25h08-12-47/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 4.924E-007 1.530E-013 3.528E-015 1.453E-015 1.372E-012 8.500E-002 1.646E-013 2.140E-017 2.624E-018 8.100E-013 + 1.148E+014 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6.631E-039 6.224E-040 3.305E-023 1.488E-020 + 1.230E+017 2.698E-023 2.692E-038 3.583E-021 2.461E-027 1.727E-033 4.386E-027 5.122E-039 4.012E-040 3.700E-023 1.543E-020 + 1.318E+017 1.986E-023 1.805E-038 2.960E-021 2.077E-027 1.251E-033 4.025E-027 3.928E-039 2.572E-040 4.152E-023 1.586E-020 + 1.413E+017 1.458E-023 1.199E-038 2.432E-021 1.752E-027 8.998E-034 3.677E-027 2.988E-039 1.638E-040 4.664E-023 1.616E-020 + 1.514E+017 1.067E-023 7.892E-039 1.988E-021 1.477E-027 6.425E-034 3.346E-027 2.251E-039 1.037E-040 5.243E-023 1.630E-020 + 1.622E+017 7.778E-024 5.137E-039 1.617E-021 1.244E-027 4.551E-034 3.033E-027 1.679E-039 6.515E-041 5.894E-023 1.628E-020 + 1.738E+017 5.649E-024 3.306E-039 1.307E-021 1.046E-027 3.196E-034 2.739E-027 1.239E-039 4.063E-041 6.624E-023 1.608E-020 + 1.862E+017 4.087E-024 2.102E-039 1.051E-021 8.776E-028 2.225E-034 2.464E-027 9.036E-040 2.513E-041 7.440E-023 1.569E-020 + 1.995E+017 2.944E-024 1.321E-039 8.397E-022 7.348E-028 1.534E-034 2.211E-027 6.514E-040 1.542E-041 8.349E-023 1.512E-020 + 2.138E+017 2.111E-024 8.200E-040 6.673E-022 6.138E-028 1.048E-034 1.977E-027 4.641E-040 9.385E-042 9.360E-023 1.438E-020 + 2.291E+017 1.506E-024 5.028E-040 5.273E-022 5.116E-028 7.087E-035 1.764E-027 3.267E-040 5.666E-042 1.048E-022 1.348E-020 + 2.455E+017 1.069E-024 3.046E-040 4.142E-022 4.254E-028 4.749E-035 1.570E-027 2.273E-040 3.394E-042 1.173E-022 1.244E-020 + 2.630E+017 7.549E-025 1.823E-040 3.236E-022 3.528E-028 3.154E-035 1.394E-027 1.563E-040 2.019E-042 1.310E-022 1.129E-020 + 2.818E+017 5.300E-025 1.079E-040 2.515E-022 2.920E-028 2.077E-035 1.235E-027 1.063E-040 1.193E-042 1.463E-022 1.008E-020 + 3.020E+017 3.699E-025 6.313E-041 1.944E-022 2.411E-028 1.357E-035 1.093E-027 7.148E-041 7.016E-043 1.631E-022 8.841E-021 + 3.236E+017 2.566E-025 3.654E-041 1.495E-022 1.987E-028 8.815E-036 9.651E-028 4.756E-041 4.109E-043 1.818E-022 7.607E-021 + 3.467E+017 1.770E-025 2.093E-041 1.144E-022 1.634E-028 5.696E-036 8.513E-028 3.133E-041 2.400E-043 2.025E-022 6.415E-021 + 3.715E+017 1.213E-025 1.187E-041 8.714E-023 1.340E-028 3.667E-036 7.501E-028 2.043E-041 1.400E-043 2.255E-022 5.299E-021 + 3.981E+017 8.258E-026 6.662E-042 6.606E-023 1.098E-028 2.355E-036 6.602E-028 1.320E-041 8.173E-044 2.511E-022 4.281E-021 + 4.266E+017 5.587E-026 3.705E-042 4.986E-023 8.972E-029 1.511E-036 5.806E-028 8.446E-042 4.778E-044 2.795E-022 3.381E-021 + 4.571E+017 3.756E-026 2.042E-042 3.746E-023 7.318E-029 9.690E-037 5.101E-028 5.357E-042 2.800E-044 3.113E-022 2.606E-021 + 4.898E+017 2.509E-026 1.115E-042 2.803E-023 5.956E-029 6.218E-037 4.480E-028 3.368E-042 1.646E-044 3.467E-022 1.958E-021 + 5.248E+017 1.665E-026 6.032E-043 2.088E-023 4.837E-029 3.992E-037 3.931E-028 2.099E-042 9.710E-045 3.864E-022 1.433E-021 + 5.623E+017 1.098E-026 3.235E-043 1.548E-023 3.918E-029 2.563E-037 3.449E-028 1.297E-042 5.745E-045 4.308E-022 1.020E-021 + 6.026E+017 7.197E-027 1.719E-043 1.143E-023 3.165E-029 1.646E-037 3.024E-028 7.945E-043 3.409E-045 4.806E-022 7.048E-022 + 6.457E+017 4.687E-027 9.053E-044 8.405E-024 2.550E-029 1.056E-037 2.650E-028 4.824E-043 2.027E-045 5.365E-022 4.722E-022 + 6.918E+017 3.034E-027 4.723E-044 6.153E-024 2.048E-029 6.763E-038 2.322E-028 2.903E-043 1.209E-045 5.993E-022 3.062E-022 + 7.413E+017 1.952E-027 2.441E-044 4.484E-024 1.638E-029 4.323E-038 2.034E-028 1.731E-043 7.225E-046 6.698E-022 1.918E-022 + 7.943E+017 1.248E-027 1.249E-044 3.255E-024 1.306E-029 2.757E-038 1.782E-028 1.023E-043 4.333E-046 7.489E-022 1.159E-022 + 8.511E+017 7.940E-028 6.331E-045 2.352E-024 1.037E-029 1.754E-038 1.560E-028 5.991E-044 2.611E-046 8.377E-022 6.736E-023 + 9.120E+017 5.023E-028 3.176E-045 1.693E-024 8.194E-030 1.113E-038 1.366E-028 3.475E-044 1.583E-046 9.371E-022 3.760E-023 + 9.772E+017 3.160E-028 1.578E-045 1.214E-024 6.445E-030 7.047E-039 1.196E-028 1.997E-044 9.677E-047 1.048E-021 2.010E-023 + 1.047E+018 1.979E-028 7.755E-046 8.678E-025 5.043E-030 4.452E-039 1.047E-028 1.136E-044 5.980E-047 1.172E-021 1.027E-023 + 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 7.328E-028 5.657E-014 6.233E-021 4.433E-018 5.917E-014 6.003E-020 3.415E-015 2.074E-021 4.218E-023 1.166E-016 + 1.148E+014 9.953E-027 3.898E-013 3.238E-020 6.143E-017 3.120E-013 3.652E-019 8.494E-015 1.544E-020 3.004E-022 1.840E-016 + 1.230E+014 3.717E-026 1.153E-012 1.107E-019 2.656E-016 7.417E-013 1.423E-018 1.498E-014 6.598E-020 1.063E-021 1.972E-016 + 1.318E+014 1.004E-025 2.437E-012 2.956E-019 7.345E-016 1.343E-012 4.234E-018 2.363E-014 2.010E-019 2.782E-021 2.007E-016 + 1.413E+014 2.347E-025 4.309E-012 6.692E-019 1.623E-015 2.144E-012 1.053E-017 3.546E-014 4.867E-019 6.093E-021 2.082E-016 + 1.514E+014 4.992E-025 6.839E-012 1.353E-018 3.145E-015 3.182E-012 2.315E-017 5.164E-014 1.006E-018 1.186E-020 2.202E-016 + 1.622E+014 9.899E-025 1.010E-011 2.524E-018 5.604E-015 4.495E-012 4.659E-017 7.354E-014 1.860E-018 2.122E-020 2.349E-016 + 1.738E+014 1.856E-024 1.418E-011 4.424E-018 9.415E-015 6.119E-012 8.776E-017 1.027E-013 3.171E-018 3.560E-020 2.512E-016 + 1.862E+014 3.324E-024 1.917E-011 7.386E-018 1.515E-014 8.086E-012 1.570E-016 1.412E-013 5.100E-018 5.667E-020 2.681E-016 + 1.995E+014 5.717E-024 2.518E-011 1.184E-017 2.357E-014 1.042E-011 2.695E-016 1.911E-013 7.853E-018 8.633E-020 2.851E-016 + 2.138E+014 9.491E-024 3.228E-011 1.832E-017 3.570E-014 1.312E-011 4.474E-016 2.555E-013 1.171E-017 1.265E-019 3.015E-016 + 2.291E+014 1.526E-023 4.057E-011 2.748E-017 5.286E-014 1.619E-011 7.225E-016 3.376E-013 1.702E-017 1.790E-019 3.168E-016 + 2.455E+014 2.379E-023 5.006E-011 4.006E-017 7.679E-014 1.960E-011 1.141E-015 4.416E-013 2.427E-017 2.450E-019 3.303E-016 + 2.630E+014 3.604E-023 6.075E-011 5.686E-017 1.097E-013 2.329E-011 1.768E-015 5.721E-013 3.406E-017 3.247E-019 3.412E-016 + 2.818E+014 5.307E-023 7.253E-011 7.866E-017 1.542E-013 2.716E-011 2.699E-015 7.343E-013 4.710E-017 4.169E-019 3.489E-016 + 3.020E+014 7.596E-023 8.522E-011 1.061E-016 2.137E-013 3.110E-011 4.068E-015 9.341E-013 6.425E-017 5.188E-019 3.526E-016 + 3.236E+014 1.056E-022 9.855E-011 1.397E-016 2.921E-013 3.497E-011 6.063E-015 1.178E-012 8.642E-017 6.254E-019 3.520E-016 + 3.467E+014 1.426E-022 1.121E-010 1.796E-016 3.935E-013 3.860E-011 8.938E-015 1.471E-012 1.146E-016 7.302E-019 3.466E-016 + 3.715E+014 1.867E-022 1.255E-010 2.253E-016 5.226E-013 4.184E-011 1.303E-014 1.820E-012 1.495E-016 8.259E-019 3.366E-016 + 3.981E+014 2.368E-022 1.383E-010 2.760E-016 6.835E-013 4.453E-011 1.876E-014 2.232E-012 1.920E-016 9.051E-019 3.223E-016 + 4.266E+014 2.907E-022 1.499E-010 3.304E-016 8.796E-013 4.657E-011 2.662E-014 2.709E-012 2.427E-016 9.620E-019 3.046E-016 + 4.571E+014 3.448E-022 1.601E-010 3.866E-016 1.113E-012 4.787E-011 3.719E-014 3.258E-012 3.020E-016 9.932E-019 2.846E-016 + 4.898E+014 3.951E-022 1.687E-010 4.426E-016 1.383E-012 4.842E-011 5.109E-014 3.882E-012 3.705E-016 9.984E-019 2.635E-016 + 5.248E+014 4.367E-022 1.755E-010 4.962E-016 1.687E-012 4.823E-011 6.894E-014 4.584E-012 4.491E-016 9.798E-019 2.425E-016 + 5.623E+014 4.657E-022 1.807E-010 5.451E-016 2.017E-012 4.735E-011 9.140E-014 5.365E-012 5.396E-016 9.415E-019 2.226E-016 + 6.026E+014 4.787E-022 1.842E-010 5.873E-016 2.366E-012 4.584E-011 1.191E-013 6.222E-012 6.442E-016 8.880E-019 2.045E-016 + 6.457E+014 4.747E-022 1.863E-010 6.207E-016 2.720E-012 4.379E-011 1.526E-013 7.146E-012 7.659E-016 8.240E-019 1.885E-016 + 6.918E+014 4.543E-022 1.872E-010 6.433E-016 3.068E-012 4.127E-011 1.923E-013 8.122E-012 9.080E-016 7.529E-019 1.745E-016 + 7.413E+014 4.201E-022 1.869E-010 6.535E-016 3.395E-012 3.835E-011 2.386E-013 9.119E-012 1.073E-015 6.776E-019 1.619E-016 + 7.943E+014 3.761E-022 1.856E-010 6.498E-016 3.692E-012 3.512E-011 2.911E-013 1.009E-011 1.263E-015 6.002E-019 1.504E-016 + 8.511E+014 3.263E-022 1.832E-010 6.316E-016 3.947E-012 3.166E-011 3.493E-013 1.099E-011 1.474E-015 5.222E-019 1.391E-016 + 9.120E+014 2.749E-022 1.799E-010 5.986E-016 4.156E-012 2.806E-011 4.116E-013 1.173E-011 1.701E-015 4.451E-019 1.276E-016 + 9.772E+014 2.251E-022 1.757E-010 5.519E-016 4.313E-012 2.441E-011 4.758E-013 1.224E-011 1.932E-015 3.706E-019 1.153E-016 + 1.047E+015 1.792E-022 1.706E-010 4.936E-016 4.416E-012 2.081E-011 5.385E-013 1.246E-011 2.148E-015 3.004E-019 1.021E-016 + 1.122E+015 1.387E-022 1.647E-010 4.269E-016 4.465E-012 1.736E-011 5.959E-013 1.232E-011 2.327E-015 2.362E-019 8.794E-017 + 1.202E+015 1.044E-022 1.580E-010 3.561E-016 4.462E-012 1.415E-011 6.436E-013 1.182E-011 2.445E-015 1.797E-019 7.338E-017 + 1.288E+015 7.648E-023 1.507E-010 2.856E-016 4.409E-012 1.125E-011 6.775E-013 1.097E-011 2.482E-015 1.319E-019 5.901E-017 + 1.380E+015 5.455E-023 1.429E-010 2.197E-016 4.311E-012 8.719E-012 6.946E-013 9.845E-012 2.428E-015 9.323E-020 4.555E-017 + 1.479E+015 3.789E-023 1.348E-010 1.617E-016 4.172E-012 6.576E-012 6.930E-013 8.535E-012 2.284E-015 6.337E-020 3.366E-017 + 1.585E+015 2.564E-023 1.264E-010 1.136E-016 3.996E-012 4.820E-012 6.727E-013 7.154E-012 2.065E-015 4.139E-020 2.375E-017 + 1.698E+015 1.688E-023 1.178E-010 7.604E-017 3.790E-012 3.429E-012 6.355E-013 5.810E-012 1.795E-015 2.596E-020 1.598E-017 + 1.820E+015 1.079E-023 1.091E-010 4.838E-017 3.559E-012 2.363E-012 5.844E-013 4.590E-012 1.501E-015 1.563E-020 1.023E-017 + 1.950E+015 6.682E-024 1.002E-010 2.919E-017 3.308E-012 1.574E-012 5.233E-013 3.549E-012 1.210E-015 9.030E-021 6.232E-018 + 2.089E+015 3.991E-024 9.111E-011 1.666E-017 3.043E-012 1.011E-012 4.564E-013 2.713E-012 9.422E-016 5.007E-021 3.605E-018 + 2.239E+015 2.289E-024 8.181E-011 8.979E-018 2.770E-012 6.251E-013 3.878E-013 2.077E-012 7.108E-016 2.664E-021 1.978E-018 + 2.399E+015 1.255E-024 7.229E-011 4.554E-018 2.493E-012 3.711E-013 3.212E-013 1.621E-012 5.211E-016 1.360E-021 1.029E-018 + 2.570E+015 6.535E-025 6.264E-011 2.169E-018 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8.233E-037 5.147E-036 2.349E-037 7.473E-046 8.828E-033 5.175E-004 4.998E-001 + 6.457E+017 2.623E-042 5.144E-037 3.676E-036 1.966E-037 1.297E-046 1.574E-033 5.180E-004 4.998E-001 + 6.918E+017 1.274E-042 3.314E-037 2.705E-036 1.667E-037 3.416E-047 3.108E-034 5.186E-004 4.998E-001 + 7.413E+017 6.536E-043 2.184E-037 2.036E-036 1.423E-037 1.179E-047 7.617E-035 5.192E-004 4.998E-001 + 7.943E+017 3.483E-043 1.466E-037 1.559E-036 1.220E-037 4.563E-048 2.480E-035 5.198E-004 4.998E-001 + 8.511E+017 1.902E-043 9.980E-038 1.210E-036 1.048E-037 1.843E-048 1.040E-035 5.205E-004 4.998E-001 + 9.120E+017 1.056E-043 6.878E-038 9.509E-037 9.028E-038 7.573E-049 5.115E-036 5.212E-004 4.998E-001 + 9.772E+017 5.934E-044 4.790E-038 7.549E-037 7.783E-038 3.132E-049 2.727E-036 5.220E-004 4.998E-001 + 1.047E+018 3.372E-044 3.368E-038 6.050E-037 6.718E-038 1.298E-049 1.506E-036 5.229E-004 4.998E-001 + RADIUS C10H3+ HC9N H2C9N+ H3C9N+ C11 C11+ e- H2 + + + diff --git a/data/train/20211014_gridC_Mdot1e-8_v5_T_eps_model_2022-12-25h08-12-47/csphyspar_smooth.out b/data/train/20211014_gridC_Mdot1e-8_v5_T_eps_model_2022-12-25h08-12-47/csphyspar_smooth.out new file mode 100644 index 0000000..4b4e968 --- /dev/null +++ b/data/train/20211014_gridC_Mdot1e-8_v5_T_eps_model_2022-12-25h08-12-47/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 7.728E+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 7.389E+002 1.046E+000 1.812E-001 5.356E-011 0.000E+000 0.000E+000 5.749E-014 0.000E+000 0.000E+000 1.756E+000 + 1.148E+014 3.420E+006 7.065E+002 9.764E-001 1.999E-001 5.965E-011 0.000E+000 0.000E+000 6.779E-014 0.000E+000 0.000E+000 1.826E+000 + 1.230E+014 2.979E+006 6.754E+002 9.112E-001 2.192E-001 6.630E-011 0.000E+000 0.000E+000 8.002E-014 0.000E+000 0.000E+000 1.891E+000 + 1.318E+014 2.594E+006 6.458E+002 8.504E-001 2.393E-001 7.315E-011 0.000E+000 0.000E+000 9.376E-014 0.000E+000 0.000E+000 1.952E+000 + 1.413E+014 2.259E+006 6.174E+002 7.936E-001 2.598E-001 8.004E-011 0.000E+000 0.000E+000 1.088E-013 0.000E+000 0.000E+000 2.009E+000 + 1.514E+014 1.968E+006 5.903E+002 7.407E-001 2.808E-001 8.805E-011 0.000E+000 0.000E+000 1.280E-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 2.399E-010 0.000E+000 0.000E+000 2.802E+000 diff --git a/data/train/20211014_gridC_Mdot1e-8_v5_T_eps_model_2022-12-25h08-12-47/input.txt b/data/train/20211014_gridC_Mdot1e-8_v5_T_eps_model_2022-12-25h08-12-47/input.txt new file mode 100644 index 0000000..01f8f24 --- /dev/null +++ b/data/train/20211014_gridC_Mdot1e-8_v5_T_eps_model_2022-12-25h08-12-47/input.txt @@ -0,0 +1,57 @@ +! INPUT PARAMETERS FOR THE RATE13_CSE_MODEL +! +! PHYSICAL PARAMETERS OF THE CIRCUMSTELLAR ENVELOPE +R_STAR = 20000000000000 +T_STAR = 2200.0 +MLOSS = 1e-08 +VELOCITY = 500000 +TEMPMODE = EPSILON +EPSILON_TEMP_LAW = 0.65 +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-8_v5_T_eps/models/model_2022-12-25h08-12-47/" +SRC_CHEMISTRY = "src-IP-AP-HNR/" \ No newline at end of file diff --git a/data/train/20211014_gridC_Mdot5e-7_v15_T_eps_model_2022-12-23h16-12-23/csfrac_smooth.out b/data/train/20211014_gridC_Mdot5e-7_v15_T_eps_model_2022-12-23h16-12-23/csfrac_smooth.out new file mode 100644 index 0000000..8770e44 --- /dev/null +++ b/data/train/20211014_gridC_Mdot5e-7_v15_T_eps_model_2022-12-23h16-12-23/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 2.349E-010 1.025E-014 2.048E-016 8.716E-017 8.726E-014 8.500E-002 1.013E-014 1.284E-018 2.599E-024 4.225E-015 + 1.148E+014 4.792E-010 1.171E-014 2.365E-016 1.001E-016 9.991E-014 8.500E-002 1.161E-014 1.474E-018 7.781E-024 5.377E-015 + 1.230E+014 7.260E-010 1.337E-014 2.733E-016 1.149E-016 1.144E-013 8.500E-002 1.332E-014 1.693E-018 1.705E-023 6.861E-015 + 1.318E+014 9.754E-010 1.527E-014 3.157E-016 1.319E-016 1.310E-013 8.500E-002 1.528E-014 1.944E-018 3.278E-023 8.773E-015 + 1.413E+014 1.227E-009 1.743E-014 3.647E-016 1.515E-016 1.499E-013 8.500E-002 1.752E-014 2.232E-018 5.830E-023 1.124E-014 + 1.514E+014 1.481E-009 1.990E-014 4.214E-016 1.739E-016 1.716E-013 8.500E-002 2.009E-014 2.562E-018 9.797E-023 1.443E-014 + 1.622E+014 1.738E-009 2.272E-014 4.869E-016 1.997E-016 1.965E-013 8.500E-002 2.304E-014 2.942E-018 1.571E-022 1.857E-014 + 1.738E+014 2.000E-009 2.594E-014 5.627E-016 2.292E-016 2.249E-013 8.500E-002 2.642E-014 3.378E-018 2.416E-022 2.392E-014 + 1.862E+014 2.269E-009 2.961E-014 6.502E-016 2.632E-016 2.575E-013 8.500E-002 3.029E-014 3.878E-018 3.578E-022 3.085E-014 + 1.995E+014 2.553E-009 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2.445E-028 1.900E-025 4.936E-033 1.717E-033 3.829E-019 5.138E-021 + 4.074E+016 1.833E-016 1.555E-031 1.360E-017 5.638E-020 1.207E-028 1.653E-025 2.371E-033 6.751E-034 3.165E-019 4.958E-021 + 4.365E+016 1.348E-016 7.934E-032 8.281E-018 1.722E-020 6.015E-029 1.434E-025 1.252E-033 2.841E-034 2.550E-019 4.755E-021 + 4.677E+016 9.687E-017 4.544E-032 5.371E-018 4.804E-021 3.108E-029 1.237E-025 7.396E-034 1.328E-034 1.997E-019 4.524E-021 + 5.012E+016 6.789E-017 2.894E-032 3.737E-018 1.221E-021 1.702E-029 1.058E-025 4.849E-034 6.927E-035 1.517E-019 4.264E-021 + 5.370E+016 4.632E-017 1.991E-032 2.759E-018 2.845E-022 9.944E-030 8.965E-026 3.425E-034 3.942E-035 1.115E-019 3.979E-021 + 5.754E+016 3.069E-017 1.431E-032 2.120E-018 6.423E-023 6.119E-030 7.519E-026 2.520E-034 2.366E-035 7.919E-020 3.676E-021 + 6.166E+016 1.971E-017 1.046E-032 1.666E-018 1.707E-023 3.886E-030 6.242E-026 1.881E-034 1.454E-035 5.417E-020 3.367E-021 + 6.607E+016 1.221E-017 7.655E-033 1.324E-018 7.243E-024 2.506E-030 5.135E-026 1.403E-034 8.969E-036 3.561E-020 3.065E-021 + 7.079E+016 7.268E-018 5.551E-033 1.060E-018 4.629E-024 1.630E-030 4.200E-026 1.038E-034 5.494E-036 2.242E-020 2.789E-021 + 7.586E+016 4.121E-018 3.968E-033 8.555E-019 3.368E-024 1.074E-030 3.441E-026 7.589E-035 3.338E-036 1.349E-020 2.565E-021 + 8.128E+016 2.210E-018 2.787E-033 7.002E-019 2.473E-024 7.265E-031 2.863E-026 5.507E-035 2.031E-036 7.745E-021 2.423E-021 + 8.710E+016 1.120E-018 1.928E-033 5.836E-019 1.796E-024 5.115E-031 2.461E-026 3.991E-035 1.262E-036 4.278E-021 2.385E-021 + 9.333E+016 5.458E-019 1.320E-033 4.952E-019 1.298E-024 3.762E-031 2.206E-026 2.911E-035 8.170E-037 2.316E-021 2.451E-021 + 1.000E+017 2.630E-019 8.993E-034 4.257E-019 9.418E-025 2.864E-031 2.050E-026 2.142E-035 5.526E-037 1.263E-021 2.604E-021 + 1.072E+017 1.303E-019 6.115E-034 3.683E-019 6.887E-025 2.228E-031 1.948E-026 1.589E-035 3.871E-037 7.210E-022 2.821E-021 + 1.148E+017 6.906E-020 4.152E-034 3.195E-019 5.081E-025 1.752E-031 1.872E-026 1.185E-035 2.774E-037 4.476E-022 3.083E-021 + 1.230E+017 4.023E-020 2.816E-034 2.771E-019 3.780E-025 1.385E-031 1.805E-026 8.855E-036 2.016E-037 3.097E-022 3.376E-021 + 1.318E+017 2.572E-020 1.908E-034 2.401E-019 2.833E-025 1.098E-031 1.740E-026 6.635E-036 1.477E-037 2.378E-022 3.696E-021 + 1.413E+017 1.763E-020 1.293E-034 2.077E-019 2.139E-025 8.703E-032 1.675E-026 4.984E-036 1.087E-037 1.971E-022 4.039E-021 + 1.514E+017 1.260E-020 8.772E-035 1.794E-019 1.627E-025 6.900E-032 1.609E-026 3.755E-036 8.017E-038 1.718E-022 4.403E-021 + 1.622E+017 9.198E-021 5.960E-035 1.547E-019 1.248E-025 5.469E-032 1.542E-026 2.839E-036 5.921E-038 1.545E-022 4.788E-021 + 1.738E+017 6.779E-021 4.059E-035 1.331E-019 9.657E-026 4.330E-032 1.474E-026 2.155E-036 4.372E-038 1.421E-022 5.191E-021 + 1.862E+017 5.018E-021 2.773E-035 1.142E-019 7.540E-026 3.425E-032 1.404E-026 1.644E-036 3.225E-038 1.332E-022 5.610E-021 + 1.995E+017 3.721E-021 1.900E-035 9.783E-020 5.942E-026 2.704E-032 1.334E-026 1.259E-036 2.374E-038 1.271E-022 6.043E-021 + 2.138E+017 2.761E-021 1.306E-035 8.359E-020 4.726E-026 2.131E-032 1.263E-026 9.686E-037 1.744E-038 1.234E-022 6.485E-021 + 2.291E+017 2.051E-021 8.998E-036 7.122E-020 3.792E-026 1.676E-032 1.191E-026 7.480E-037 1.277E-038 1.218E-022 6.931E-021 + 2.455E+017 1.523E-021 6.213E-036 6.051E-020 3.069E-026 1.314E-032 1.120E-026 5.794E-037 9.313E-039 1.220E-022 7.377E-021 + 2.630E+017 1.132E-021 4.294E-036 5.125E-020 2.503E-026 1.028E-032 1.050E-026 4.497E-037 6.764E-039 1.240E-022 7.815E-021 + 2.818E+017 8.409E-022 2.968E-036 4.327E-020 2.055E-026 8.007E-033 9.798E-027 3.493E-037 4.889E-039 1.275E-022 8.237E-021 + 3.020E+017 6.248E-022 2.049E-036 3.639E-020 1.697E-026 6.215E-033 9.112E-027 2.712E-037 3.515E-039 1.325E-022 8.634E-021 + 3.236E+017 4.641E-022 1.410E-036 3.050E-020 1.409E-026 4.805E-033 8.444E-027 2.101E-037 2.513E-039 1.390E-022 8.998E-021 + 3.467E+017 3.446E-022 9.670E-037 2.545E-020 1.174E-026 3.697E-033 7.795E-027 1.622E-037 1.785E-039 1.467E-022 9.318E-021 + 3.715E+017 2.557E-022 6.595E-037 2.115E-020 9.814E-027 2.831E-033 7.171E-027 1.247E-037 1.259E-039 1.558E-022 9.583E-021 + 3.981E+017 1.896E-022 4.468E-037 1.749E-020 8.220E-027 2.156E-033 6.574E-027 9.522E-038 8.823E-040 1.661E-022 9.782E-021 + 4.266E+017 1.405E-022 3.004E-037 1.440E-020 6.894E-027 1.633E-033 6.006E-027 7.221E-038 6.135E-040 1.777E-022 9.905E-021 + 4.571E+017 1.039E-022 2.002E-037 1.179E-020 5.784E-027 1.229E-033 5.469E-027 5.430E-038 4.232E-040 1.905E-022 9.944E-021 + 4.898E+017 7.674E-023 1.322E-037 9.609E-021 4.852E-027 9.196E-034 4.964E-027 4.045E-038 2.896E-040 2.045E-022 9.889E-021 + 5.248E+017 5.657E-023 8.632E-038 7.787E-021 4.067E-027 6.834E-034 4.492E-027 2.984E-038 1.966E-040 2.197E-022 9.736E-021 + 5.623E+017 4.160E-023 5.576E-038 6.275E-021 3.405E-027 5.045E-034 4.054E-027 2.177E-038 1.323E-040 2.360E-022 9.481E-021 + 6.026E+017 3.050E-023 3.560E-038 5.028E-021 2.845E-027 3.699E-034 3.649E-027 1.570E-038 8.827E-041 2.535E-022 9.125E-021 + 6.457E+017 2.230E-023 2.245E-038 4.006E-021 2.373E-027 2.693E-034 3.276E-027 1.119E-038 5.840E-041 2.722E-022 8.673E-021 + 6.918E+017 1.624E-023 1.399E-038 3.173E-021 1.974E-027 1.947E-034 2.935E-027 7.883E-039 3.832E-041 2.918E-022 8.133E-021 + 7.413E+017 1.177E-023 8.606E-039 2.499E-021 1.638E-027 1.398E-034 2.623E-027 5.483E-039 2.494E-041 3.126E-022 7.516E-021 + 7.943E+017 8.498E-024 5.228E-039 1.956E-021 1.356E-027 9.965E-035 2.340E-027 3.767E-039 1.610E-041 3.342E-022 6.839E-021 + 8.511E+017 6.100E-024 3.136E-039 1.523E-021 1.119E-027 7.058E-035 2.084E-027 2.556E-039 1.031E-041 3.568E-022 6.121E-021 + 9.120E+017 4.353E-024 1.858E-039 1.179E-021 9.202E-028 4.967E-035 1.853E-027 1.713E-039 6.561E-042 3.803E-022 5.383E-021 + 9.772E+017 3.086E-024 1.087E-039 9.071E-022 7.547E-028 3.474E-035 1.645E-027 1.134E-039 4.146E-042 4.046E-022 4.646E-021 + 1.047E+018 2.173E-024 6.287E-040 6.943E-022 6.171E-028 2.415E-035 1.459E-027 7.422E-040 2.604E-042 4.296E-022 3.930E-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 2.832E-030 1.073E-016 2.280E-021 2.707E-021 3.117E-016 1.998E-020 1.054E-016 2.513E-027 1.703E-023 2.043E-017 + 1.148E+014 2.562E-029 2.983E-016 5.012E-021 2.284E-020 7.053E-016 4.400E-020 2.321E-016 6.903E-027 4.043E-023 4.354E-017 + 1.230E+014 9.219E-029 5.184E-016 7.947E-021 7.998E-020 1.175E-015 7.000E-020 3.839E-016 1.451E-026 6.665E-023 6.859E-017 + 1.318E+014 2.288E-028 7.611E-016 1.109E-020 1.958E-019 1.728E-015 9.811E-020 5.663E-016 2.780E-026 9.589E-023 9.571E-017 + 1.413E+014 4.637E-028 1.027E-015 1.444E-020 3.943E-019 2.371E-015 1.285E-019 7.858E-016 5.106E-026 1.284E-022 1.250E-016 + 1.514E+014 8.263E-028 1.318E-015 1.800E-020 7.016E-019 3.109E-015 1.612E-019 1.051E-015 9.163E-026 1.644E-022 1.566E-016 + 1.622E+014 1.347E-027 1.635E-015 2.178E-020 1.146E-018 3.945E-015 1.965E-019 1.371E-015 1.621E-025 2.042E-022 1.907E-016 + 1.738E+014 2.054E-027 1.982E-015 2.580E-020 1.759E-018 4.880E-015 2.346E-019 1.759E-015 2.840E-025 2.482E-022 2.274E-016 + 1.862E+014 2.978E-027 2.361E-015 3.004E-020 2.574E-018 5.916E-015 2.756E-019 2.231E-015 4.950E-025 2.968E-022 2.669E-016 + 1.995E+014 4.144E-027 2.776E-015 3.454E-020 3.627E-018 7.050E-015 3.197E-019 2.804E-015 8.622E-025 3.504E-022 3.094E-016 + 2.138E+014 5.574E-027 3.230E-015 3.930E-020 4.958E-018 8.283E-015 3.673E-019 3.502E-015 1.509E-024 4.094E-022 3.553E-016 + 2.291E+014 7.286E-027 3.727E-015 4.434E-020 6.609E-018 9.613E-015 4.185E-019 4.352E-015 2.669E-024 4.744E-022 4.047E-016 + 2.455E+014 9.289E-027 4.275E-015 4.966E-020 8.628E-018 1.104E-014 4.736E-019 5.386E-015 4.785E-024 5.461E-022 4.579E-016 + 2.630E+014 1.158E-026 4.881E-015 5.529E-020 1.107E-017 1.256E-014 5.329E-019 6.643E-015 8.707E-024 6.249E-022 5.152E-016 + 2.818E+014 1.415E-026 5.553E-015 6.124E-020 1.399E-017 1.417E-014 5.966E-019 8.167E-015 1.605E-023 7.116E-022 5.768E-016 + 3.020E+014 1.696E-026 6.305E-015 6.751E-020 1.748E-017 1.587E-014 6.651E-019 1.001E-014 2.982E-023 8.066E-022 6.431E-016 + 3.236E+014 1.996E-026 7.156E-015 7.409E-020 2.162E-017 1.766E-014 7.387E-019 1.222E-014 5.558E-023 9.106E-022 7.140E-016 + 3.467E+014 2.305E-026 8.135E-015 8.095E-020 2.658E-017 1.953E-014 8.174E-019 1.486E-014 1.033E-022 1.024E-021 7.893E-016 + 3.715E+014 2.610E-026 9.286E-015 8.802E-020 3.254E-017 2.145E-014 9.015E-019 1.798E-014 1.910E-022 1.145E-021 8.686E-016 + 3.981E+014 2.894E-026 1.069E-014 9.516E-020 3.981E-017 2.344E-014 9.908E-019 2.163E-014 3.497E-022 1.275E-021 9.506E-016 + 4.266E+014 3.134E-026 1.250E-014 1.022E-019 4.881E-017 2.548E-014 1.085E-018 2.584E-014 6.334E-022 1.409E-021 1.033E-015 + 4.571E+014 3.303E-026 1.500E-014 1.087E-019 6.016E-017 2.762E-014 1.183E-018 3.060E-014 1.133E-021 1.545E-021 1.112E-015 + 4.898E+014 3.374E-026 1.874E-014 1.144E-019 7.466E-017 3.002E-014 1.284E-018 3.587E-014 1.999E-021 1.675E-021 1.183E-015 + 5.248E+014 3.330E-026 2.473E-014 1.186E-019 9.336E-017 3.306E-014 1.386E-018 4.153E-014 3.478E-021 1.791E-021 1.239E-015 + 5.623E+014 3.178E-026 3.484E-014 1.207E-019 1.175E-016 3.762E-014 1.485E-018 4.739E-014 5.956E-021 1.884E-021 1.272E-015 + 6.026E+014 2.967E-026 5.238E-014 1.202E-019 1.485E-016 4.538E-014 1.580E-018 5.319E-014 1.004E-020 1.946E-021 1.274E-015 + 6.457E+014 2.806E-026 8.305E-014 1.172E-019 1.881E-016 5.932E-014 1.669E-018 5.862E-014 1.664E-020 1.975E-021 1.241E-015 + 6.918E+014 2.864E-026 1.363E-013 1.124E-019 2.384E-016 8.439E-014 1.756E-018 6.334E-014 2.714E-020 1.984E-021 1.174E-015 + 7.413E+014 3.363E-026 2.271E-013 1.079E-019 3.031E-016 1.282E-013 1.854E-018 6.710E-014 4.358E-020 2.008E-021 1.081E-015 + 7.943E+014 4.577E-026 3.788E-013 1.083E-019 3.896E-016 2.018E-013 2.005E-018 6.982E-014 6.907E-020 2.118E-021 9.729E-016 + 8.511E+014 6.870E-026 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4.641E-030 1.534E-030 1.034E-034 1.169E-033 1.966E-024 5.137E-004 4.998E-001 + 6.457E+017 4.657E-035 2.942E-030 -2.875E-030 6.886E-035 3.151E-034 8.687E-025 5.138E-004 4.998E-001 + 6.918E+017 2.055E-035 1.698E-031 6.879E-031 4.529E-035 8.142E-035 3.655E-025 5.138E-004 4.998E-001 + 7.413E+017 8.696E-036 1.708E-031 1.367E-031 2.921E-035 2.013E-035 1.479E-025 5.139E-004 4.998E-001 + 7.943E+017 3.589E-036 5.566E-032 4.798E-032 1.854E-035 4.744E-036 5.706E-026 5.140E-004 4.998E-001 + 8.511E+017 1.441E-036 1.794E-032 1.763E-032 1.160E-035 1.063E-036 2.093E-026 5.141E-004 4.998E-001 + 9.120E+017 5.637E-037 5.979E-033 6.689E-033 7.174E-036 2.260E-037 7.277E-027 5.143E-004 4.998E-001 + 9.772E+017 2.150E-037 2.123E-033 2.704E-033 4.417E-036 4.534E-038 2.389E-027 5.144E-004 4.998E-001 + 1.047E+018 8.014E-038 8.232E-034 1.195E-033 2.731E-036 8.572E-039 7.385E-028 5.145E-004 4.998E-001 + RADIUS C10H3+ HC9N H2C9N+ H3C9N+ C11 C11+ e- H2 + + + diff --git a/data/train/20211014_gridC_Mdot5e-7_v15_T_eps_model_2022-12-23h16-12-23/csphyspar_smooth.out b/data/train/20211014_gridC_Mdot5e-7_v15_T_eps_model_2022-12-23h16-12-23/csphyspar_smooth.out new file mode 100644 index 0000000..fe25d46 --- /dev/null +++ b/data/train/20211014_gridC_Mdot5e-7_v15_T_eps_model_2022-12-23h16-12-23/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 7.514E+007 1.357E+003 1.868E+001 5.624E-010 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 2.803E+001 + 1.072E+014 6.544E+007 1.316E+003 1.744E+001 2.074E-009 4.392E-020 0.000E+000 0.000E+000 2.682E-022 0.000E+000 0.000E+000 2.927E+001 + 1.148E+014 5.700E+007 1.275E+003 1.627E+001 7.031E-009 1.788E-019 0.000E+000 0.000E+000 8.652E-022 0.000E+000 0.000E+000 3.044E+001 + 1.230E+014 4.964E+007 1.236E+003 1.519E+001 2.204E-008 7.635E-019 0.000E+000 0.000E+000 2.946E-021 0.000E+000 0.000E+000 3.152E+001 + 1.318E+014 4.324E+007 1.198E+003 1.417E+001 6.424E-008 2.515E-018 0.000E+000 0.000E+000 8.151E-021 0.000E+000 0.000E+000 3.254E+001 + 1.413E+014 3.766E+007 1.162E+003 1.323E+001 1.750E-007 7.529E-018 0.000E+000 0.000E+000 2.097E-020 0.000E+000 0.000E+000 3.348E+001 + 1.514E+014 3.280E+007 1.126E+003 1.234E+001 4.474E-007 2.102E-017 0.000E+000 0.000E+000 5.128E-020 0.000E+000 0.000E+000 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9.772E+017 7.868E-001 2.173E+001 1.912E-003 9.953E-001 3.483E-010 0.000E+000 0.000E+000 2.382E-010 0.000E+000 0.000E+000 4.671E+001 + 1.047E+018 6.853E-001 2.107E+001 1.784E-003 9.956E-001 3.484E-010 0.000E+000 0.000E+000 2.383E-010 0.000E+000 0.000E+000 4.671E+001 diff --git a/data/train/20211014_gridC_Mdot5e-7_v15_T_eps_model_2022-12-23h16-12-23/input.txt b/data/train/20211014_gridC_Mdot5e-7_v15_T_eps_model_2022-12-23h16-12-23/input.txt new file mode 100644 index 0000000..9e4a2dc --- /dev/null +++ b/data/train/20211014_gridC_Mdot5e-7_v15_T_eps_model_2022-12-23h16-12-23/input.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 = 5e-07 +VELOCITY = 1500000 +TEMPMODE = EPSILON +EPSILON_TEMP_LAW = 0.45 +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_Mdot5e-7_v15_T_eps/models/model_2022-12-23h16-12-23/" +SRC_CHEMISTRY = "src-IP-AP-HNR/" \ No newline at end of file diff --git a/data/train/20211014_gridC_Mdot5e-8_v12-5_T_eps_model_2022-12-25h00-57-30/csfrac_smooth.out b/data/train/20211014_gridC_Mdot5e-8_v12-5_T_eps_model_2022-12-25h00-57-30/csfrac_smooth.out new file mode 100644 index 0000000..a1e459b --- /dev/null +++ b/data/train/20211014_gridC_Mdot5e-8_v12-5_T_eps_model_2022-12-25h00-57-30/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 5.493E-008 8.832E-014 1.572E-015 7.263E-016 7.420E-013 8.500E-002 8.489E-014 1.070E-017 1.938E-021 1.591E-014 + 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6.026E+017 9.093E-034 8.593E-032 6.134E-031 5.297E-034 8.505E-040 2.521E-027 5.148E-004 4.995E-001 + 6.457E+017 3.763E-034 3.991E-032 3.252E-031 3.481E-034 2.200E-040 9.806E-028 5.150E-004 4.995E-001 + 6.918E+017 1.487E-034 1.806E-032 1.679E-031 2.287E-034 5.443E-041 3.639E-028 5.152E-004 4.995E-001 + 7.413E+017 5.597E-035 7.970E-033 8.455E-032 1.505E-034 1.303E-041 1.285E-028 5.154E-004 4.995E-001 + 7.943E+017 2.004E-035 3.440E-033 4.163E-032 9.941E-035 3.007E-042 4.299E-029 5.156E-004 4.995E-001 + 8.511E+017 6.833E-036 1.459E-033 2.013E-032 6.613E-035 6.764E-043 1.360E-029 5.159E-004 4.995E-001 + 9.120E+017 2.229E-036 6.115E-034 9.621E-033 4.447E-035 1.498E-043 4.057E-030 5.162E-004 4.995E-001 + 9.772E+017 7.012E-037 2.560E-034 4.589E-033 3.039E-035 3.312E-044 1.137E-030 5.165E-004 4.995E-001 + 1.047E+018 2.157E-037 1.085E-034 2.214E-033 2.124E-035 7.430E-045 2.993E-031 5.168E-004 4.995E-001 + RADIUS C10H3+ HC9N H2C9N+ H3C9N+ C11 C11+ e- H2 + + + diff --git a/data/train/20211014_gridC_Mdot5e-8_v12-5_T_eps_model_2022-12-25h00-57-30/csphyspar_smooth.out b/data/train/20211014_gridC_Mdot5e-8_v12-5_T_eps_model_2022-12-25h00-57-30/csphyspar_smooth.out new file mode 100644 index 0000000..c25de09 --- /dev/null +++ b/data/train/20211014_gridC_Mdot5e-8_v12-5_T_eps_model_2022-12-25h00-57-30/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 9.016E+006 1.759E+003 2.242E+000 3.752E-002 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 3.363E+000 + 1.072E+014 7.853E+006 1.722E+003 2.092E+000 4.531E-002 1.139E-011 0.000E+000 0.000E+000 1.803E-014 0.000E+000 0.000E+000 3.513E+000 + 1.148E+014 6.840E+006 1.687E+003 1.953E+000 5.413E-002 1.378E-011 0.000E+000 0.000E+000 2.281E-014 0.000E+000 0.000E+000 3.652E+000 + 1.230E+014 5.957E+006 1.653E+003 1.822E+000 6.401E-002 1.673E-011 0.000E+000 0.000E+000 2.913E-014 0.000E+000 0.000E+000 3.783E+000 + 1.318E+014 5.188E+006 1.619E+003 1.701E+000 7.497E-002 1.996E-011 0.000E+000 0.000E+000 3.653E-014 0.000E+000 0.000E+000 3.904E+000 + 1.413E+014 4.519E+006 1.585E+003 1.587E+000 8.700E-002 2.358E-011 0.000E+000 0.000E+000 4.542E-014 0.000E+000 0.000E+000 4.018E+000 + 1.514E+014 3.936E+006 1.553E+003 1.481E+000 1.001E-001 2.782E-011 0.000E+000 0.000E+000 5.663E-014 0.000E+000 0.000E+000 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9.772E+017 9.441E-002 1.117E+002 2.294E-004 9.994E-001 3.498E-010 0.000E+000 0.000E+000 2.397E-010 0.000E+000 0.000E+000 5.605E+000 + 1.047E+018 8.223E-002 1.094E+002 2.141E-004 9.995E-001 3.498E-010 0.000E+000 0.000E+000 2.397E-010 0.000E+000 0.000E+000 5.605E+000 diff --git a/data/train/20211014_gridC_Mdot5e-8_v12-5_T_eps_model_2022-12-25h00-57-30/input.txt b/data/train/20211014_gridC_Mdot5e-8_v12-5_T_eps_model_2022-12-25h00-57-30/input.txt new file mode 100644 index 0000000..20b7675 --- /dev/null +++ b/data/train/20211014_gridC_Mdot5e-8_v12-5_T_eps_model_2022-12-25h00-57-30/input.txt @@ -0,0 +1,57 @@ +! INPUT PARAMETERS FOR THE RATE13_CSE_MODEL +! +! PHYSICAL PARAMETERS OF THE CIRCUMSTELLAR ENVELOPE +R_STAR = 20000000000000 +T_STAR = 2850.0 +MLOSS = 5e-08 +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_Mdot5e-8_v12-5_T_eps/models/model_2022-12-25h00-57-30/" +SRC_CHEMISTRY = "src-IP-AP-HNR/" \ No newline at end of file diff --git a/data/train/20211015_gridC_Mdot1e-6_v20_T_eps_model_2022-12-28h21-05-09/csfrac_smooth.out b/data/train/20211015_gridC_Mdot1e-6_v20_T_eps_model_2022-12-28h21-05-09/csfrac_smooth.out new file mode 100644 index 0000000..6fccbc3 --- /dev/null +++ b/data/train/20211015_gridC_Mdot1e-6_v20_T_eps_model_2022-12-28h21-05-09/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 5.520E-011 5.716E-015 1.715E-016 5.810E-017 5.268E-014 8.500E-002 6.474E-015 8.561E-019 3.582E-024 3.403E-014 + 1.148E+014 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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 7.011E-031 2.491E-016 2.649E-021 1.580E-021 6.545E-016 2.322E-020 1.569E-015 3.426E-026 4.200E-023 3.676E-017 + 1.148E+014 5.548E-030 6.873E-016 5.824E-021 1.244E-020 1.434E-015 5.119E-020 3.328E-015 1.858E-025 9.976E-023 7.901E-017 + 1.230E+014 1.816E-029 1.200E-015 9.277E-021 4.122E-020 2.273E-015 8.191E-020 5.228E-015 5.178E-025 1.662E-022 1.259E-016 + 1.318E+014 4.269E-029 1.781E-015 1.301E-020 9.683E-020 3.172E-015 1.156E-019 7.262E-015 1.093E-024 2.423E-022 1.775E-016 + 1.413E+014 8.458E-029 2.433E-015 1.702E-020 1.897E-019 4.129E-015 1.525E-019 9.425E-015 1.976E-024 3.289E-022 2.339E-016 + 1.514E+014 1.507E-028 3.164E-015 2.131E-020 3.326E-019 5.144E-015 1.927E-019 1.172E-014 3.235E-024 4.273E-022 2.954E-016 + 1.622E+014 2.492E-028 3.982E-015 2.590E-020 5.417E-019 6.216E-015 2.367E-019 1.414E-014 4.938E-024 5.388E-022 3.622E-016 + 1.738E+014 3.890E-028 4.897E-015 3.077E-020 8.373E-019 7.343E-015 2.847E-019 1.670E-014 7.159E-024 6.649E-022 4.345E-016 + 1.862E+014 5.800E-028 5.918E-015 3.595E-020 1.245E-018 8.527E-015 3.370E-019 1.939E-014 9.976E-024 8.074E-022 5.127E-016 + 1.995E+014 8.327E-028 7.058E-015 4.144E-020 1.795E-018 9.767E-015 3.939E-019 2.223E-014 1.348E-023 9.683E-022 5.971E-016 + 2.138E+014 1.159E-027 8.329E-015 4.727E-020 2.527E-018 1.106E-014 4.559E-019 2.522E-014 1.776E-023 1.150E-021 6.882E-016 + 2.291E+014 1.570E-027 9.745E-015 5.344E-020 3.490E-018 1.242E-014 5.233E-019 2.836E-014 2.294E-023 1.355E-021 7.864E-016 + 2.455E+014 2.082E-027 1.132E-014 5.998E-020 4.741E-018 1.384E-014 5.967E-019 3.167E-014 2.914E-023 1.587E-021 8.924E-016 + 2.630E+014 2.710E-027 1.308E-014 6.692E-020 6.354E-018 1.532E-014 6.765E-019 3.515E-014 3.654E-023 1.848E-021 1.007E-015 + 2.818E+014 3.472E-027 1.504E-014 7.428E-020 8.418E-018 1.687E-014 7.632E-019 3.881E-014 4.534E-023 2.144E-021 1.130E-015 + 3.020E+014 4.393E-027 1.721E-014 8.210E-020 1.104E-017 1.849E-014 8.576E-019 4.267E-014 5.582E-023 2.478E-021 1.264E-015 + 3.236E+014 5.497E-027 1.964E-014 9.041E-020 1.436E-017 2.019E-014 9.601E-019 4.672E-014 6.837E-023 2.856E-021 1.408E-015 + 3.467E+014 6.816E-027 2.234E-014 9.925E-020 1.854E-017 2.196E-014 1.072E-018 5.099E-014 8.358E-023 3.283E-021 1.565E-015 + 3.715E+014 8.385E-027 2.534E-014 1.087E-019 2.379E-017 2.381E-014 1.193E-018 5.548E-014 1.024E-022 3.765E-021 1.734E-015 + 3.981E+014 1.025E-026 2.869E-014 1.186E-019 3.037E-017 2.575E-014 1.324E-018 6.019E-014 1.264E-022 4.309E-021 1.916E-015 + 4.266E+014 1.244E-026 3.243E-014 1.292E-019 3.862E-017 2.777E-014 1.466E-018 6.513E-014 1.582E-022 4.921E-021 2.111E-015 + 4.571E+014 1.502E-026 3.662E-014 1.404E-019 4.901E-017 2.986E-014 1.621E-018 7.029E-014 2.022E-022 5.605E-021 2.319E-015 + 4.898E+014 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1.070E-027 2.416E-028 2.951E-034 2.139E-030 1.646E-022 5.134E-004 4.999E-001 + 6.457E+017 1.024E-034 4.113E-028 1.097E-028 1.676E-034 6.469E-031 8.380E-023 5.135E-004 4.999E-001 + 6.918E+017 4.114E-035 1.532E-028 4.766E-029 9.737E-035 1.886E-031 4.128E-023 5.135E-004 4.999E-001 + 7.413E+017 1.794E-035 5.504E-029 1.266E-029 5.753E-035 5.290E-032 1.963E-023 5.136E-004 4.999E-001 + 7.943E+017 6.228E-036 2.031E-029 8.108E-031 3.454E-035 1.426E-032 8.992E-024 5.137E-004 4.999E-001 + 8.511E+017 2.434E-036 6.340E-030 3.773E-030 2.080E-035 3.687E-033 3.959E-024 5.137E-004 4.999E-001 + 9.120E+017 9.507E-037 2.068E-030 1.193E-030 1.246E-035 9.109E-034 1.671E-024 5.138E-004 4.999E-001 + 9.772E+017 3.694E-037 6.356E-031 4.266E-031 7.388E-036 2.148E-034 6.739E-025 5.139E-004 4.999E-001 + 1.047E+018 1.440E-037 1.868E-031 1.450E-031 4.315E-036 4.820E-035 2.591E-025 5.140E-004 4.998E-001 + RADIUS C10H3+ HC9N H2C9N+ H3C9N+ C11 C11+ e- H2 + + + diff --git a/data/train/20211015_gridC_Mdot1e-6_v20_T_eps_model_2022-12-28h21-05-09/csphyspar_smooth.out b/data/train/20211015_gridC_Mdot1e-6_v20_T_eps_model_2022-12-28h21-05-09/csphyspar_smooth.out new file mode 100644 index 0000000..92b2642 --- /dev/null +++ b/data/train/20211015_gridC_Mdot1e-6_v20_T_eps_model_2022-12-28h21-05-09/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 1.127E+008 5.400E+002 2.803E+001 3.385E-014 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 4.204E+001 + 1.072E+014 9.816E+007 5.040E+002 2.616E+001 2.357E-013 1.184E-024 0.000E+000 0.000E+000 7.770E-026 0.000E+000 0.000E+000 4.391E+001 + 1.148E+014 8.550E+007 4.703E+002 2.441E+001 1.444E-012 9.586E-024 0.000E+000 0.000E+000 3.984E-025 0.000E+000 0.000E+000 4.566E+001 + 1.230E+014 7.446E+007 4.389E+002 2.278E+001 7.857E-012 7.306E-023 0.000E+000 0.000E+000 1.984E-024 0.000E+000 0.000E+000 4.728E+001 + 1.318E+014 6.486E+007 4.096E+002 2.126E+001 3.826E-011 4.616E-022 0.000E+000 0.000E+000 8.663E-024 0.000E+000 0.000E+000 4.880E+001 + 1.413E+014 5.649E+007 3.823E+002 1.984E+001 1.680E-010 2.405E-021 0.000E+000 0.000E+000 3.290E-023 0.000E+000 0.000E+000 5.022E+001 + 1.514E+014 4.920E+007 3.568E+002 1.852E+001 6.700E-010 1.214E-020 0.000E+000 0.000E+000 1.236E-022 0.000E+000 0.000E+000 5.155E+001 + 1.622E+014 4.285E+007 3.330E+002 1.728E+001 2.443E-009 5.321E-020 0.000E+000 0.000E+000 4.193E-022 0.000E+000 0.000E+000 5.278E+001 + 1.738E+014 3.732E+007 3.107E+002 1.613E+001 8.195E-009 2.561E-019 0.000E+000 0.000E+000 1.560E-021 0.000E+000 0.000E+000 5.394E+001 + 1.862E+014 3.250E+007 2.900E+002 1.505E+001 2.544E-008 9.920E-019 0.000E+000 0.000E+000 4.908E-021 0.000E+000 0.000E+000 5.501E+001 + 1.995E+014 2.831E+007 2.706E+002 1.405E+001 7.347E-008 2.633E-018 0.000E+000 0.000E+000 1.130E-020 0.000E+000 0.000E+000 5.602E+001 + 2.138E+014 2.466E+007 2.526E+002 1.311E+001 1.984E-007 9.362E-018 0.000E+000 0.000E+000 3.378E-020 0.000E+000 0.000E+000 5.696E+001 + 2.291E+014 2.148E+007 2.357E+002 1.223E+001 5.034E-007 2.404E-017 0.000E+000 0.000E+000 7.690E-020 0.000E+000 0.000E+000 5.783E+001 + 2.455E+014 1.870E+007 2.200E+002 1.142E+001 1.205E-006 7.604E-017 0.000E+000 0.000E+000 2.122E-019 0.000E+000 0.000E+000 5.865E+001 + 2.630E+014 1.629E+007 2.053E+002 1.066E+001 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9.772E+017 1.180E+000 1.000E+001 2.868E-003 9.930E-001 3.474E-010 0.000E+000 0.000E+000 2.374E-010 0.000E+000 0.000E+000 7.006E+001 + 1.047E+018 1.028E+000 1.000E+001 2.676E-003 9.935E-001 3.476E-010 0.000E+000 0.000E+000 2.376E-010 0.000E+000 0.000E+000 7.006E+001 diff --git a/data/train/20211015_gridC_Mdot1e-6_v20_T_eps_model_2022-12-28h21-05-09/input.txt b/data/train/20211015_gridC_Mdot1e-6_v20_T_eps_model_2022-12-28h21-05-09/input.txt new file mode 100644 index 0000000..ab3a41e --- /dev/null +++ b/data/train/20211015_gridC_Mdot1e-6_v20_T_eps_model_2022-12-28h21-05-09/input.txt @@ -0,0 +1,57 @@ +! INPUT PARAMETERS FOR THE RATE13_CSE_MODEL +! +! PHYSICAL PARAMETERS OF THE CIRCUMSTELLAR ENVELOPE +R_STAR = 20000000000000 +T_STAR = 2700.0 +MLOSS = 1e-06 +VELOCITY = 2000000 +TEMPMODE = EPSILON +EPSILON_TEMP_LAW = 1.0 +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_nov2022/20211015_gridC_Mdot1e-6_v20_T_eps/models/model_2022-12-28h21-05-09/" +SRC_CHEMISTRY = "src-IP-AP-HNR/" \ No newline at end of file diff --git a/data/train/20211018_gridC_Mdot5e-6_v22-5_T_eps_model_2022-12-27h03-01-50/csfrac_smooth.out b/data/train/20211018_gridC_Mdot5e-6_v22-5_T_eps_model_2022-12-27h03-01-50/csfrac_smooth.out new file mode 100644 index 0000000..3be71c9 --- /dev/null +++ b/data/train/20211018_gridC_Mdot5e-6_v22-5_T_eps_model_2022-12-27h03-01-50/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 6.677E-011 1.368E-015 3.572E-017 1.307E-017 1.228E-014 8.500E-002 1.480E-015 1.926E-019 1.215E-024 5.855E-015 + 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5.741E-033 5.027E-026 1.455E-027 1.804E-033 9.997E-028 3.627E-022 5.130E-004 4.998E-001 + 6.457E+017 2.586E-033 2.017E-026 7.050E-028 8.312E-034 3.351E-028 1.923E-022 5.130E-004 4.998E-001 + 6.918E+017 1.137E-033 7.888E-027 3.411E-028 3.822E-034 1.091E-028 9.963E-023 5.131E-004 4.998E-001 + 7.413E+017 4.884E-034 3.000E-027 1.582E-028 1.788E-034 3.438E-029 5.033E-023 5.132E-004 4.998E-001 + 7.943E+017 2.050E-034 1.107E-027 7.176E-029 8.696E-035 1.045E-029 2.471E-023 5.133E-004 4.998E-001 + 8.511E+017 8.341E-035 3.957E-028 3.404E-029 4.893E-035 3.068E-030 1.175E-023 5.133E-004 4.998E-001 + 9.120E+017 3.466E-035 1.366E-028 1.279E-029 2.174E-035 8.633E-031 5.400E-024 5.134E-004 4.998E-001 + 9.772E+017 1.412E-035 4.540E-029 5.159E-030 1.163E-035 2.327E-031 2.389E-024 5.134E-004 4.998E-001 + 1.047E+018 5.780E-036 1.450E-029 1.937E-030 6.540E-036 5.983E-032 1.014E-024 5.135E-004 4.998E-001 + RADIUS C10H3+ HC9N H2C9N+ H3C9N+ C11 C11+ e- H2 + + + diff --git a/data/train/20211018_gridC_Mdot5e-6_v22-5_T_eps_model_2022-12-27h03-01-50/csphyspar_smooth.out b/data/train/20211018_gridC_Mdot5e-6_v22-5_T_eps_model_2022-12-27h03-01-50/csphyspar_smooth.out new file mode 100644 index 0000000..bf61847 --- /dev/null +++ b/data/train/20211018_gridC_Mdot5e-6_v22-5_T_eps_model_2022-12-27h03-01-50/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+008 7.256E+002 1.246E+002 9.316E-057 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 0.000E+000 1.868E+002 + 1.072E+014 4.363E+008 6.843E+002 1.162E+002 3.913E-053 8.303E-071 0.000E+000 0.000E+000 3.021E-057 0.000E+000 0.000E+000 1.952E+002 + 1.148E+014 3.800E+008 6.452E+002 1.085E+002 9.468E-050 2.228E-066 0.000E+000 0.000E+000 1.926E-054 0.000E+000 0.000E+000 2.029E+002 + 1.230E+014 3.310E+008 6.084E+002 1.012E+002 1.371E-046 6.034E-063 0.000E+000 0.000E+000 3.023E-052 0.000E+000 0.000E+000 2.102E+002 + 1.318E+014 2.882E+008 5.737E+002 9.449E+001 1.231E-043 8.776E-060 0.000E+000 0.000E+000 3.321E-050 0.000E+000 0.000E+000 2.169E+002 + 1.413E+014 2.511E+008 5.410E+002 8.818E+001 7.079E-041 1.412E-056 0.000E+000 0.000E+000 4.065E-048 0.000E+000 0.000E+000 2.232E+002 + 1.514E+014 2.187E+008 5.102E+002 8.230E+001 2.689E-038 1.405E-053 0.000E+000 0.000E+000 3.794E-046 0.000E+000 0.000E+000 2.291E+002 + 1.622E+014 1.904E+008 4.811E+002 7.680E+001 6.942E-036 1.236E-050 0.000E+000 0.000E+000 3.403E-044 0.000E+000 0.000E+000 2.346E+002 + 1.738E+014 1.659E+008 4.536E+002 7.168E+001 1.249E-033 4.515E-048 0.000E+000 0.000E+000 1.767E-042 0.000E+000 0.000E+000 2.397E+002 + 1.862E+014 1.445E+008 4.278E+002 6.689E+001 1.606E-031 1.006E-045 0.000E+000 0.000E+000 6.801E-041 0.000E+000 0.000E+000 2.445E+002 + 1.995E+014 1.258E+008 4.034E+002 6.243E+001 1.507E-029 2.169E-043 0.000E+000 0.000E+000 2.644E-039 0.000E+000 0.000E+000 2.490E+002 + 2.138E+014 1.096E+008 3.804E+002 5.826E+001 1.054E-027 2.743E-041 0.000E+000 0.000E+000 7.363E-038 0.000E+000 0.000E+000 2.531E+002 + 2.291E+014 9.545E+007 3.587E+002 5.437E+001 5.596E-026 3.268E-039 0.000E+000 0.000E+000 2.029E-036 0.000E+000 0.000E+000 2.570E+002 + 2.455E+014 8.313E+007 3.382E+002 5.074E+001 2.297E-024 2.633E-037 0.000E+000 0.000E+000 4.389E-035 0.000E+000 0.000E+000 2.607E+002 + 2.630E+014 7.240E+007 3.189E+002 4.736E+001 7.404E-023 1.324E-035 0.000E+000 0.000E+000 7.006E-034 0.000E+000 0.000E+000 2.640E+002 + 2.818E+014 6.306E+007 3.008E+002 4.420E+001 1.904E-021 7.312E-034 0.000E+000 0.000E+000 1.229E-032 0.000E+000 0.000E+000 2.672E+002 + 3.020E+014 5.492E+007 2.836E+002 4.125E+001 3.960E-020 1.935E-032 0.000E+000 0.000E+000 1.305E-031 0.000E+000 0.000E+000 2.702E+002 + 3.236E+014 4.784E+007 2.674E+002 3.849E+001 6.757E-019 5.790E-031 0.000E+000 0.000E+000 1.552E-030 0.000E+000 0.000E+000 2.729E+002 + 3.467E+014 4.166E+007 2.522E+002 3.592E+001 9.574E-018 1.403E-029 0.000E+000 0.000E+000 1.622E-029 0.000E+000 0.000E+000 2.755E+002 + 3.715E+014 3.629E+007 2.378E+002 3.353E+001 1.140E-016 2.250E-028 0.000E+000 0.000E+000 1.279E-028 0.000E+000 0.000E+000 2.779E+002 + 3.981E+014 3.161E+007 2.242E+002 3.129E+001 1.154E-015 2.576E-027 0.000E+000 0.000E+000 7.991E-028 0.000E+000 0.000E+000 2.801E+002 + 4.266E+014 2.753E+007 2.115E+002 2.920E+001 1.003E-014 3.065E-026 0.000E+000 0.000E+000 5.240E-027 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1.322E+002 1.680E+001 4.032E-009 9.546E-020 0.000E+000 0.000E+000 7.676E-022 0.000E+000 0.000E+000 2.946E+002 + 7.943E+014 7.939E+006 1.247E+002 1.568E+001 1.310E-008 4.067E-019 0.000E+000 0.000E+000 2.593E-021 0.000E+000 0.000E+000 2.957E+002 + 8.511E+014 6.915E+006 1.175E+002 1.463E+001 3.946E-008 1.315E-018 0.000E+000 0.000E+000 7.021E-021 0.000E+000 0.000E+000 2.968E+002 + 9.120E+014 6.022E+006 1.108E+002 1.366E+001 1.108E-007 4.688E-018 0.000E+000 0.000E+000 2.089E-020 0.000E+000 0.000E+000 2.977E+002 + 9.772E+014 5.245E+006 1.045E+002 1.275E+001 2.917E-007 1.416E-017 0.000E+000 0.000E+000 5.448E-020 0.000E+000 0.000E+000 2.987E+002 + 1.047E+015 4.568E+006 9.856E+001 1.190E+001 7.223E-007 3.740E-017 0.000E+000 0.000E+000 1.275E-019 0.000E+000 0.000E+000 2.995E+002 + 1.122E+015 3.979E+006 9.294E+001 1.110E+001 1.690E-006 1.079E-016 0.000E+000 0.000E+000 3.258E-019 0.000E+000 0.000E+000 3.003E+002 + 1.202E+015 3.465E+006 8.764E+001 1.036E+001 3.752E-006 2.439E-016 0.000E+000 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9.772E+017 5.245E+000 1.000E+001 1.275E-002 9.699E-001 3.388E-010 0.000E+000 0.000E+000 2.310E-010 0.000E+000 0.000E+000 3.114E+002 + 1.047E+018 4.568E+000 1.000E+001 1.190E-002 9.718E-001 3.395E-010 0.000E+000 0.000E+000 2.315E-010 0.000E+000 0.000E+000 3.114E+002 diff --git a/data/train/20211018_gridC_Mdot5e-6_v22-5_T_eps_model_2022-12-27h03-01-50/input.txt b/data/train/20211018_gridC_Mdot5e-6_v22-5_T_eps_model_2022-12-27h03-01-50/input.txt new file mode 100644 index 0000000..87aba72 --- /dev/null +++ b/data/train/20211018_gridC_Mdot5e-6_v22-5_T_eps_model_2022-12-27h03-01-50/input.txt @@ -0,0 +1,57 @@ +! INPUT PARAMETERS FOR THE RATE13_CSE_MODEL +! +! PHYSICAL PARAMETERS OF THE CIRCUMSTELLAR ENVELOPE +R_STAR = 20000000000000 +T_STAR = 2850.0 +MLOSS = 5e-06 +VELOCITY = 2250000 +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_nov2022/20211018_gridC_Mdot5e-6_v22-5_T_eps/models/model_2022-12-27h03-01-50/" +SRC_CHEMISTRY = "src-IP-AP-HNR/" \ No newline at end of file