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Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening
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Jingbo-Wang/catmap
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############################################################################ 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 wiki at www.github.com/ajmedford/catmap/wiki for more details and tutorials.
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Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening
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