CHIMERE / gasJtab

Yaml arguments

The following arguments are used to configure the plugin. pyCIF will return an exception at the initialization if mandatory arguments are not specified, or if any argument does not fit accepted values or type:

Mandatory arguments

schemeid: (mandatory)

Name of the chemical scheme

accepted type: <class ‘str’>

Optional arguments

nreactamax: (optional): 4

Max number of reactants/reaction

accepted type: <class ‘int’>

ntemps: (optional): 4

Number of tabul. temperatures for stoichio.

accepted type: <class ‘int’>

ntabmax: (optional): 22

Max number of rate constants

accepted type: <class ‘int’>

nlevphotmax: (optional): 50

Max number of tabulated photolysis levels

accepted type: <class ‘int’>

ntabuzenmax: (optional): 20

Max number of tabulated zenith angles

accepted type: <class ‘int’>

nphotmax: (optional): 50

Max number of photolysis reactions

accepted type: <class ‘int’>

dir_precomp: (optional)

Directory where pre-defined chemical schemes are stored. The assumed structure is: ${dir_precomp}/${schemeid}/

accepted type: <class ‘str’>

acspecies: (optional)

List of active species and corresponding parameters

accepted structure:

any_key: (optional)

Name of a species.

accepted structure:

restart_id: (optional)

ID of the species in the LMDZ restart files. If the ID is an integer, the variable name to be found in restart.nc files has the format q{:02d}.

To explicitly specify the variable name to look for in restart.nc files, use the format explicit_XXXX; in that case, all characters after explicit_ make the species/variable name.

mass: (optional)

Molar mass of the species

htransport: (optional): 2

Vertical transport scheme to use in CHIMERE

accepted values:

  • 1: PPM scheme

  • 2: Van Leer

  • 0: Upwind

vtransport: (optional): 1

Vertical transport scheme to use in CHIMERE

accepted values:

  • 1: Upwind

  • 2: Van Leer

bound_dry: (optional): True

Apply a conversion to humid concentration if dry

accepted type: <class ‘bool’>

outspecies: (optional): <pycif.utils.classes.chemistries.Chemistry object at 0x7f299c9d41f0>

List of output species and corresponding parameters

accepted structure:

any_key: (optional)

Name of a species.

accepted structure:

output_frac: (optional): 0

In CHIMERE, computed concentrations are in fraction of total air (i.e., wet). It is possible to convert it to dry, or apply any other conversion factor.

accepted values:

  • -1: Keep CHIMERE wet concentrations

  • 0: Dry concentrations

  • 1: Any positive number is applied as is to wet concentrations

emis_species: (optional): <pycif.utils.classes.chemistries.Chemistry object at 0x7f299c9d47c0>

List of emitted species with constant emissions on corresponding time steps. Use for all emitted species for LMDZ. Corresponds to ANTHROPOGENIC species in CHIMERE

accepted structure:

any_key: (optional)

Name of a species.

accepted structure:

bio_species: (optional): <pycif.utils.classes.chemistries.Chemistry object at 0x7f299c9d4af0>

List of emitted species with interpolated emissions between time steps. Do not use for LMDZ. Corresponds to BIOGENIC species in CHIMERE

accepted structure:

any_key: (optional)

Name of a species.

accepted structure:

families: (optional): <pycif.utils.classes.chemistries.Chemistry object at 0x7f299c9d4850>

List of families of species. Only for CHIMERE

accepted structure:

any_key: (optional)

Name of a species.

accepted structure:

photo_parameters: (optional): <pycif.utils.classes.chemistries.Chemistry object at 0x7f299c9aac40>

Information about photolysis parameters

accepted structure:

ntabuzen: (optional): 0

Number of zenithal angles for which values are given

nphot: (optional): 0

Number of species for which values are given

nwavel: (optional): 3

Not used anywere…

altiphot: (optional): []

Levels (in meters above ground level) at which photolysis rates are given

Yaml template

Please find below a template for a Yaml configuration:

 1chemistry:
 2  plugin:
 3    name: CHIMERE
 4    version: gasJtab
 5    type: chemistry
 6
 7  # Mandatory arguments
 8  schemeid: XXXXX
 9
10  # Optional arguments
11  nreactamax: XXXXX
12  ntemps: XXXXX
13  ntabmax: XXXXX
14  nlevphotmax: XXXXX
15  ntabuzenmax: XXXXX
16  nphotmax: XXXXX
17  dir_precomp: XXXXX
18  acspecies: XXXXX
19  outspecies: XXXXX
20  emis_species: XXXXX
21  bio_species: XXXXX
22  families: XXXXX
23  photo_parameters: XXXXX