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Amend mcm/ and .fac info
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rs028 committed Sep 13, 2023
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12 changes: 8 additions & 4 deletions mcm/INFO.md
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Expand Up @@ -2,6 +2,8 @@ The `mcm/` directory contains:

- a minimal `.fac` file with the required sections headers: `mechanism_skel.fac`

- a minimal `.kpp` file with the required sections headers: `mechanism_skel.kpp`

- the complete lists of organic peroxy radicals (RO2) in the Master Chemical
Mechanism v3.1, v3.2 and v3.3.1: `peroxy-radicals_v*`

Expand All @@ -10,12 +12,14 @@ The `mcm/` directory contains:

---

**How to set the MCM version**
**How to change the MCM version**

The default version of the Master Chemical Mechanism (MCM) is **v3.3.1**. This
means that AtChem2 uses the list of RO2 in the file `peroxy-radicals_v3.3.1`
and the photolysis rates parameters in the file `photolysis-rates_v3.3.1`.

To use previous versions of the MCM, change the corresponding lines in
`build/mech_converter.py` (for the peroxy radicals) and
`src/inputFunctions.f90` (for the photolysis rates).
The filenames are hard-coded in the AtChem2 source code. This will change in future
versions of AtChem2, see [issue #297](https://github.com/AtChem/AtChem2/issues/297).
For now, to use previous versions of the MCM change the corresponding lines in
`build/mech_converter.py` (for the peroxy radicals) and `src/inputFunctions.f90`
(for the photolysis rates).
4 changes: 2 additions & 2 deletions mcm/mechanism_skel.fac
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Expand Up @@ -4,8 +4,8 @@
* Complex reactions ;
...

* Peroxy radicals. ;
* Peroxy radicals ;
RO2 = ... ;

* Reaction definitions. ;
* Reaction definitions ;
% k : A + B = C ;

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