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Adding training data
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‎data/paths_train_data.txt

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/lhome/silkem/CHEM/Output_nov2022/20211014_gridC_Mdot1e-6_v12-5_T_eps/models/model_2022-12-23h10-52-30/csfrac_smooth.out
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/lhome/silkem/CHEM/Output_nov2022/20211014_gridC_Mdot2e-7_v7-5_T_eps/models/model_2022-12-23h14-08-04/csfrac_smooth.out
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/lhome/silkem/CHEM/Output_nov2022/20211014_gridC_Mdot2e-8_v10_T_eps/models/model_2022-12-25h13-20-46/csfrac_smooth.out
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/lhome/silkem/CHEM/Output_nov2022/20210527_gridC_Mdot5e-5_v22-5_T_eps/models/model_2022-12-27h10-44-23/csfrac_smooth.out
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/lhome/silkem/CHEM/Output_nov2022/20211014_gridC_Mdot1e-7_v15_T_eps/models/model_2022-12-28h15-08-21/csfrac_smooth.out

‎data/train/20210527_gridC_Mdot5e-5_v22-5_T_eps_model_2022-12-27h10-44-23/csfrac_smooth.out

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‎data/train/20210527_gridC_Mdot5e-5_v22-5_T_eps_model_2022-12-27h10-44-23/csphyspar_smooth.out

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‎data/train/20210527_gridC_Mdot5e-5_v22-5_T_eps_model_2022-12-27h10-44-23/inputChemistry_model_2022-12-27h10-44-23.txt

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! INPUT PARAMETERS FOR THE RATE13_CSE_MODEL
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!
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! PHYSICAL PARAMETERS OF THE CIRCUMSTELLAR ENVELOPE
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R_STAR = 20000000000000
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T_STAR = 2500.0
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MLOSS = 5e-05
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VELOCITY = 2250000
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TEMPMODE = EPSILON
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EPSILON_TEMP_LAW = 0.35
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R_EPSIL = 20000000000000
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!
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! GRAIN PARAMETERS FOR H2 FORMATION AND CR IONISATION
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A_G = 1e-05
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X_G = 1.5e-12
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ALBEDO = 0.5
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ZETA = 1
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GAMCO = 3
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AUV_AV = 4.65
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!
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! RADIUS INFORMATION
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R_INNER_CHEM = 100000000000000
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R_OUTER_CHEM = 1000000000000000000
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RESOLUTION = 0.03
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!
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! ANALYSE SUBROUTINE
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PERFORM_ROUTINE = 0
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ROUTINE_RADIUS = 0
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FULL_ANALYSIS = 0
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SENSITIVITY = 0
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!
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! DVODE
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RTOL = 1e-05
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ATOL = 1e-20
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!
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! CLUMPING PARAMETERS
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CLUMPMODE = SMOOTH
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FVOL = 0
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L = 0
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FIC = 0
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!
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! INNER PHOTONS
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ISTELLAR = 0
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IBIN = 0
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RSCALE = 50
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RDUST = 2
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TBIN = 6000
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RBIN = 0
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!
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! SHIELDING FUNCTIONS CO AND N2
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FILECO = "/lhome/silkem/CHEM/src-IP-AP-HNR/shielding/co/shield.03.5.69-557-36.dat"
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FILEN2 = "/lhome/silkem/CHEM/src-IP-AP-HNR/n2/Tex_10K_bH2_3km.s-1_bH_5km.s-1_NH_1e+20cm-2.dat"
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! INPUT AND OUTPUT FILE NAMES
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REACTIONS_FILE = "/lhome/silkem/CHEM/src-IP-AP-HNR/rates/rate16_IP_2330K_AP_6000K_corrected.rates"
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SPECIES_FILE = "/lhome/silkem/CHEM/src-IP-AP-HNR/specs/rate16_IP_6000K_Crich_mean_Htot.specs"
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! OUTPUT FILES CSFRAC_NAME.OUT AND CSNUM_NAME.OUT FOR FRACTIONAL ABUNDANCES AND NUMBER DENSITIES
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OUTPUT_FOLDER = "/lhome/silkem/CHEM/Output_nov2022/20210527_gridC_Mdot5e-5_v22-5_T_eps/models/model_2022-12-27h10-44-23/"
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SRC_CHEMISTRY = "src-IP-AP-HNR/"

‎data/train/20211014_gridC_Mdot1e-6_v12-5_T_eps_model_2022-12-23h10-52-30/csfrac_smooth.out

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‎data/train/20211014_gridC_Mdot1e-6_v12-5_T_eps_model_2022-12-23h10-52-30/csphyspar_smooth.out

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‎data/train/20211014_gridC_Mdot1e-6_v12-5_T_eps_model_2022-12-23h10-52-30/inputChemistry_model_2022-12-23h10-52-30.txt

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! INPUT PARAMETERS FOR THE RATE13_CSE_MODEL
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!
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! PHYSICAL PARAMETERS OF THE CIRCUMSTELLAR ENVELOPE
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R_STAR = 20000000000000
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T_STAR = 2050.0
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MLOSS = 1e-06
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VELOCITY = 1250000
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TEMPMODE = EPSILON
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EPSILON_TEMP_LAW = 0.3
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R_EPSIL = 20000000000000
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!
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! GRAIN PARAMETERS FOR H2 FORMATION AND CR IONISATION
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A_G = 1e-05
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X_G = 1.5e-12
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ALBEDO = 0.5
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ZETA = 1
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GAMCO = 3
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AUV_AV = 4.65
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!
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! RADIUS INFORMATION
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R_INNER_CHEM = 100000000000000
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R_OUTER_CHEM = 1000000000000000000
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RESOLUTION = 0.03
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!
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! ANALYSE SUBROUTINE
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PERFORM_ROUTINE = 0
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ROUTINE_RADIUS = 0
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FULL_ANALYSIS = 0
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SENSITIVITY = 0
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!
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! DVODE
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RTOL = 1e-05
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ATOL = 1e-25
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!
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! CLUMPING PARAMETERS
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CLUMPMODE = SMOOTH
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FVOL = 0
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L = 0
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FIC = 0
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!
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! INNER PHOTONS
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ISTELLAR = 0
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IBIN = 0
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RSCALE = 50
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RDUST = 2
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TBIN = 6000
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RBIN = 0
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!
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! SHIELDING FUNCTIONS CO AND N2
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FILECO = "/lhome/silkem/CHEM/src-IP-AP-HNR/shielding/co/shield.03.5.69-557-36.dat"
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FILEN2 = "/lhome/silkem/CHEM/src-IP-AP-HNR/n2/Tex_10K_bH2_3km.s-1_bH_5km.s-1_NH_1e+20cm-2.dat"
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! INPUT AND OUTPUT FILE NAMES
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REACTIONS_FILE = "/lhome/silkem/CHEM/src-IP-AP-HNR/rates/rate16_IP_2330K_AP_6000K_corrected.rates"
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SPECIES_FILE = "/lhome/silkem/CHEM/src-IP-AP-HNR/specs/rate16_IP_6000K_Crich_mean_Htot.specs"
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! OUTPUT FILES CSFRAC_NAME.OUT AND CSNUM_NAME.OUT FOR FRACTIONAL ABUNDANCES AND NUMBER DENSITIES
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OUTPUT_FOLDER = "/lhome/silkem/CHEM/Output_nov2022/20211014_gridC_Mdot1e-6_v12-5_T_eps/models/model_2022-12-23h10-52-30/"
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SRC_CHEMISTRY = "src-IP-AP-HNR/"

‎data/train/20211014_gridC_Mdot1e-7_v15_T_eps_model_2022-12-28h15-08-21/csfrac_smooth.out

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‎data/train/20211014_gridC_Mdot1e-7_v15_T_eps_model_2022-12-28h15-08-21/csphyspar_smooth.out

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‎data/train/20211014_gridC_Mdot1e-7_v15_T_eps_model_2022-12-28h15-08-21/inputChemistry_model_2022-12-28h15-08-21.txt

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! INPUT PARAMETERS FOR THE RATE13_CSE_MODEL
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!
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! PHYSICAL PARAMETERS OF THE CIRCUMSTELLAR ENVELOPE
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R_STAR = 20000000000000
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T_STAR = 2650.0
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MLOSS = 1e-07
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VELOCITY = 1500000
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TEMPMODE = EPSILON
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EPSILON_TEMP_LAW = 0.7
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R_EPSIL = 20000000000000
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!
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! GRAIN PARAMETERS FOR H2 FORMATION AND CR IONISATION
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A_G = 1e-05
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X_G = 1.5e-12
15+
ALBEDO = 0.5
16+
ZETA = 1
17+
GAMCO = 3
18+
AUV_AV = 4.65
19+
!
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! RADIUS INFORMATION
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R_INNER_CHEM = 100000000000000
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R_OUTER_CHEM = 1000000000000000000
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RESOLUTION = 0.03
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!
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! ANALYSE SUBROUTINE
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PERFORM_ROUTINE = 0
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ROUTINE_RADIUS = 0
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FULL_ANALYSIS = 0
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SENSITIVITY = 0
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!
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! DVODE
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RTOL = 1e-05
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ATOL = 1e-25
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!
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! CLUMPING PARAMETERS
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CLUMPMODE = SMOOTH
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FVOL = 0
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L = 0
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FIC = 0
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!
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! INNER PHOTONS
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ISTELLAR = 0
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IBIN = 0
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RSCALE = 50
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RDUST = 2
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TBIN = 6000
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RBIN = 0
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!
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! SHIELDING FUNCTIONS CO AND N2
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FILECO = "/lhome/silkem/CHEM/src-IP-AP-HNR/shielding/co/shield.03.5.69-557-36.dat"
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FILEN2 = "/lhome/silkem/CHEM/src-IP-AP-HNR/n2/Tex_10K_bH2_3km.s-1_bH_5km.s-1_NH_1e+20cm-2.dat"
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! INPUT AND OUTPUT FILE NAMES
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REACTIONS_FILE = "/lhome/silkem/CHEM/src-IP-AP-HNR/rates/rate16_IP_2330K_AP_6000K_corrected.rates"
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SPECIES_FILE = "/lhome/silkem/CHEM/src-IP-AP-HNR/specs/rate16_IP_6000K_Crich_mean_Htot.specs"
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! OUTPUT FILES CSFRAC_NAME.OUT AND CSNUM_NAME.OUT FOR FRACTIONAL ABUNDANCES AND NUMBER DENSITIES
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OUTPUT_FOLDER = "/lhome/silkem/CHEM/Output_nov2022/20211014_gridC_Mdot1e-7_v15_T_eps/models/model_2022-12-28h15-08-21/"
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SRC_CHEMISTRY = "src-IP-AP-HNR/"

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