Skip to content

Latest commit

 

History

History
21 lines (12 loc) · 856 Bytes

generateReactions.rst

File metadata and controls

21 lines (12 loc) · 856 Bytes

Generate Reactions

The script generateReactions.py generates reactions between all species mentioned in an input file. To call this method type:

python generateReactions.py Input_File

where Input_File is a file similar to a general RMG input file which contains all the species for RMG to generate reactions between. An example file is placed in $RMGPy/examples/scripts/generateReactions/input.py

.. literalinclude:: ../../../../../examples/scripts/generateReactions/input.py

This method will produce an output.html file in the directory of input.py which contains the all the reactions produced between the species.

This method is also available to use with a web browser from the RMG website: Populate Reactions.