AtChem2 is an atmospheric chemistry box-model, primarily designed for use with the Master Chemical Mechanism (MCM, http://mcm.leeds.ac.uk/MCM/). The latest stable release of AtChem can be downloaded here: https://github.com/AtChem/AtChem2/releases. Installation instructions and documentation can be found on the AtChem2 wiki.
AtChem2 is open source, released under the MIT license. Please see the file CITATION.md for information on how to cite the model in publications.
doc/contains the documentation, in markdown format (copy of the AtChem2 wiki).mcm/contains data files related to specific versions of the MCM.model/contains the chemical mechanism (in FACSIMILE format) and directories for the model configuration, the model constraints and the model output.obj/contains the files generated by the Fortran compiler.src/contains the Fortran source files.tools/contains Python and shell scripts to build and compile AtChem2, with the chemical mechanism and configuration in themodel/directory.travis/contains the test suite files.
AtChem2 requires a Fortran compiler (GNU gfortran or Intel ifort), the CVODE and openlibm libraries, and a Python 2.x installation. Compilation of CVODE also requires cmake, and the Fortran libraries BLAS and LAPACK. Optionally, numdiff, FRUIT, and a Ruby installation are required to run the test suite.
Detailed instructions for the installation of Atchem2 and its dependencies can be found in the corresponding wiki pages. A working knowledge of the unix shell is required to install and use AtChem2.
Copy the example Makefile from tools/ to the main directory and set the variables CVODELIB, OPENLIBMDIR to the paths of the libraries CVODE and openlibm. Optionally, set the variable FRUITDIR to the path of the library FRUIT.
Type ./tools/build.sh tools/mcm_example.fac model/configuration model/configuration mcm in the main directory to create an executable file called atchem2, using an example chemical mechanism and a default configuration. This will also build a shared library mechanism.so and several data files in the model/configuration/ directory.
After completing the build step above, set the initial conditions, the required outputs and the other model parameters by editing the files in the model/configuration/ directory. To run the model, type ./atchem2. The build script and the executable accept several command line arguments to change the location of the configuration, input and output files from the default directories.
More detailed information on the configuration and execution of AtChem2 can be found in the corresponding wiki pages.