Installation

Installing CatINT

CatINT is a program package which combines mass transport simulations with micro- kinetic modeling. Installing CatINT requires:

  • python 2.5 or greater
  • numpy
  • scipy
  • matplotlib
  • tables
  • logging

After installing all dependencies, you can install CatINT into a folder $CATINT via:

$ mkdir $CATINT
$ cd $CATINT
$ git clone git@github.com:sringe/CatINT.git

As usual update your $PYTHONPATH variable with the $CATINT folder location and verify that everything worked by importing the central transport module of CatINT:

$ python >>>from catint import transport

Installing CatMAP

For installing CatMAP, please see https://catmap.readthedocs.io/en/latest/installation.html.

For running CatMAP with CatINT, it is required to download the version from https://github.com/sringe/catmap-1.git, which enables the Frumkin voltage corrections and surface charge corrections of energetics which are not yet contained in the main repository.

Installing COMSOL

For installing COMSOL ®, please see www.comsol.de. CatiNT writes a java input file for COMSOL ® which is then compiled and executed. The COMSOL ® executable location is automatically searched for. However, if this fails, or the executable is out of reach for the `locate` linux command, specify the path of the executable manually in the `tp.comsol_args['bin_path']` variable (where `tp` is an instance of the `Transport` class).

Documentation (this wiki) is located in the catmap/docs folder, and is available online at http://catint.readthedocs.org/.