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# This files creates a development environment using the Nix package
# manager.
#
# The environment is isolated (i.e. it does not use any system
# librairies or binaries) and pinned (the version of each packages is
# fixed), which ensures reproducibility (i.e. system updates will not
# break things).
#
# Usage: run `nix-shell` in the same directory than this file.

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# Example model for Astrochem, command-line interface version
# Input parameter file
# See the "Using Astrochem" section in the documentation manual for details.
[files]
source = source.mdl
chem = network_with_tabs.chm
# Physical parameters
[phys]
chi = 1.0
cosmic = 1.3e-17

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R version 4.1.2 (2021-11-01) -- "Bird Hippie"
Copyright (C) 2021 The R Foundation for Statistical Computing
Platform: x86_64-apple-darwin21.1.0 (64-bit)

R is free software and comes with ABSOLUTELY NO WARRANTY.
You are welcome to redistribute it under certain conditions.
Type 'license()' or 'licence()' for distribution details.

R is a collaborative project with many contributors.
Type 'contributors()' for more information and

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3.0                      mcfost version

#Number of photon packages
  1.28e5                  nbr_photons_eq_th  : T computation
  1.28e3	          nbr_photons_lambda : SED computation
  1.28e5                  nbr_photons_image  : images computation

#Wavelength
  50  0.1 3000.0          n_lambda, lambda_min, lambda_max [mum] Do not change this line unless you know what you are doing
  T T T 		  compute temperature?, compute sed?, use default wavelength grid for output ?

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#H2O          + uv-photon                   -> OH           + H            3.28e-10  0.00e+00  1.63e+00 13 4314
H2O                                        -> H2O(ice)                    1.00e+00  1.80e+01  0.00e+00 20 6238
H2O(ice)                                   -> H2O                         0.00e+00  1.80e+01  5.70e+03 21 6239
#H2O(ice)     + cosmic-ray                  -> H2O                         4.40e-17  0.00e+00  0.00e+00 22 6240

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[files]
source = source.mdl
chem = osu2009.chm
# Physical paramaters
[phys]
chi = 1.0
cosmic = 1e-15
# Solver parameters
[solver]
ti = 1e-6

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from astrochem.wrapper import *
import numpy as np

p = phys()
initial_abundances = {
    "H2": 0.5,
    "He": 0.14,
    "N": 2.14e-5,
    "O": 1.76e-4,
    "C(+)": 7.30e-5,

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from astrochem.wrapper import *
import numpy as np

p = phys()
initial_abundances = {}
c = cell(av=20, nh=1e3, tgas=10, tdust=10)
s = solver(c,  "network.chm", p , 1e-15, 1e-6, initial_abundances, 1e3, 0)

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[files]
source = source.mdl
chem = network.chm
# Initial abundances
[abundances]
H2 = 0.5
CO = 1e-6
#grain = 1.0e-12
# Output
[output]