Chempl is an astrochemical code meant to be easy to play with in a python environment.

Please raise an issue if you encounter any problems while compiling or running Chempl.

Requirement

• Up-to-date compilers for Fortran, C++, and Cython; the C++ compiler must support the -c++11 option
• Python 3
• For running the examples in the Jupyter notebooks, Anaconda3 is recommended

Compile

• For compiling the python wrapper, run

  make chempl

• For compiling the command line executable, run

  make

  This will create an executable with the default name re (meaning "rate equation")

Depending on your system configuration, you may need to edit the line

library_dirs=["./"]

in the file "setup.py", which specifies the location of the gfortran library (libgfortran.a).

You may try to find the location of "libgfortran.a" using the following command

dirname `gfortran --print-file-name libgfortran.a`

Examples

• For the python wrapper

  Before detailed documentation becomes available, you may look at this Jupyter notebook.

  Comments and suggestions are welcome!

• For the command line executable, you can run an example model by

  ./re paths_test.dat

Publication

• A paper describing Chempl can be downloaded from arxiv: Chempl: a playable package for modeling interstellar chemistry
  • Citation (BibTeX):

       author = {{Du}, Fujun},
        title = "{Chempl: a playable package for modeling interstellar chemistry}",
      journal = {Research in Astronomy and Astrophysics},
     keywords = {astrochemistry, methods: numerical, ISM: evolution, ISM: molecules, Astrophysics - Solar and Stellar Astrophysics, Astrophysics - Instrumentation and Methods for Astrophysics, Nonlinear Sciences - Chaotic Dynamics},
         year = 2021,
        month = apr,
       volume = {21},
       number = {3},
          eid = {077},
        pages = {077},
          doi = {10.1088/1674-4527/21/3/077},
    

archivePrefix = {arXiv}, eprint = {2007.11294}, primaryClass = {astro-ph.SR}, adsurl = {https://ui.adsabs.harvard.edu/abs/2021RAA....21...77D}, adsnote = {Provided by the SAO/NASA Astrophysics Data System} } ```