/catmap

Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening

Primary LanguagePythonGNU General Public License v3.0GPL-3.0

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                               INSTALLATION
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To use the package add this directory to the PYTHONPATH, e.g. in bash shell:

export PYTHONPATH=$HOME/THIS_FOLDER_PATH:$PYTHONPATH

or in cshell:

setenv PYTHONPATH $HOME/THIS_FOLDER_PATH:$PYTHONPATH

You will need to ensure that you are running python version 2.5 or greater,
and that the mpmath, numpy, scipy, ase, and matplotlib python libraries are 
installed. A significant speed increase can also be obtained by including the 
gmpy package. 

The installation can be verified by starting python and typing the following
commands:

import numpy
import mpmath
import matplotlib
import catmap