kmos: kMC modelling on steroids - a vigorous attempt to make lattice kinetic Monte Carlo modelling more accessible.
Copyright (C) 2009-12 Max J. Hoffmann <mjhoffmann@gmail.com>
This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version.
This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.
You should have received a copy of the GNU General Public License along with this program; if not, see http://www.gnu.org/licenses/.
In general this script has been developed and tested on Ubuntu 9.04-10.10 in conjunction with both gfortran and ifort. So things will most likely work best under a similar setup. Other than standard libraries you need to fetch:
- python-numpy : contains f2py
- python-gtk2: GUI toolkit
- python-kiwi, gazpacho: frameworks for python-gtk
Start the main program with:
kmos editor
and create your model. To test, it you need to press 'Export source' choose a folder where the source code will be dumped. Use a terminal to go to that directory and run ./compile_for_f2py. If this finishes without complains you can try running:
kmos view
This project draws on several other great Python modules, which are in turn each free software and I would like to thank each of these projects for making their code avalaible for freely, namely:
- Python
- ASE
- Numpy
- f2py
- kiwi, gazpacho
- lxml and in particular ElementTree
- pygtkcanvas