Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening
License: GNU General Public License v3.0
catmap's Introduction
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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