To execute a CanTherm job, invoke the command
$ python cantherm.py FILE
The job will run and the results will be saved to
output.py in the same
directory as the input file. If you wish to save the output elsewhere, use
--output option, e.g.
$ python cantherm.py INPUTFILE -o OUTPUTFILE
CanTherm contains functionality for automatically generating an image of the
potential energy surface for a reaction network. This is done automatically
and outputted in pdf format to a file called
You can manipulate the amount of information logged to the console window using
--quiet flag (for quiet mode) or the
(for verbose mode). The former causes the amount of logging information shown
to decrease; the latter causes it to increase.
To view help information and all available options, use the
$ python cantherm.py -h