Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening
Python
Latest commit ba5051f Sep 14, 2016 @chuanshi chuanshi committed on GitHub Merge pull request #94 from aayushrs/master
Fixed pH module

README.md

Build Status Software License Documentation Status

CatMAP

INSTALLATION

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

See the documentation for more details and tutorials.

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