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Merge pull request #500 from stulacy/docs/corrected-example-mechanism…
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Corrected example mechanism path in README
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rs028 committed Aug 4, 2023
2 parents 457b3e4 + 73070fa commit 87e02fd
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6 changes: 3 additions & 3 deletions README.md
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Expand Up @@ -16,8 +16,8 @@ Directory structure

- `build/` contains the Python and shell scripts used to compile AtChem2.
- `doc/` contains the AtChem2 user manual, with the LaTeX source files, and the poster presented at the [ACM 2018 conference](https://acm.aqrc.ucdavis.edu).
- `mcm/` contains data files related to specific versions of the MCM and an example chemical mechanism (in FACSIMILE format).
- `model/` contains an example directory structure for the chemical mechanism, model configuration, constraints and output. There can be several such directories (with different names).
- `mcm/` contains data files related to specific versions of the MCM.
- `model/` contains an example directory structure for the chemical mechanism, model configuration, constraints, output, and an example chemical mechanism (in FACSIMILE format). There can be several such directories (with different names).
- `obj/` contains the files generated by the Fortran compiler.
- `src/` contains the Fortran source files.
- `tests/` contains the Test Suite scripts and files.
Expand All @@ -32,7 +32,7 @@ AtChem2 requires a **Fortran** compiler (GNU `gfortran` or Intel `ifort`), the *
The latest stable version of AtChem2 can be downloaded from the [Releases page](https://github.com/AtChem/AtChem2/releases). After installing the required dependencies using the scripts in the `tools/install/` directory, copy the file `tools/install/Makefile.skel` to the _Main Directory_ and rename it `Makefile`. Set the variables `CVODELIB`, `OPENLIBMDIR` and `FRUITDIR` in `Makefile` to the paths of CVODE, openlibm and (if installed) FRUIT. To compile the model using the example chemical mechanism, execute the command:

```
./build/build_atchem2.sh ./mcm/mechanism_test.fac
./build/build_atchem2.sh ./model/mechanism.fac
```

The build script converts the chemical mechanism from the FACSIMILE format (`mechanism_test.fac`) to a Fortran-compatible format, and generates the shared library `mechanism.so` in the `model/configuration/` directory. After the build process is completed, an executable file called `atchem2` is created in the _Main Directory_.
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