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Welcome to the potfit wiki
potfit is a free implementation of the force-matching algorithm to generate effective potentials from ab-initio data.
It was originally developed by Peter Brommer and is now maintained at the ITAP.
For further information about the history and funding see About potfit - the ITAP Force-Matching Code.
News
[2012-09-13] potfit-0.5.1 has been released, for details see Changelog
[2011-12-16] potfit-0.5.0 has been released
[2011-10-04] potfitWiki has been released
Features
- Fit empirical potentials with the force-matching algorithm
- Tabulated or analytic potentials are available
- Different interactions like pair potentials, EAM, ADP and electrostatics available
- Directly export the potentials to IMD, our high performance MD code
Download
potfit is available as open source software released under the GPL
The latest version can be downloaded here.
start.1362053662.txt.gz ยท Last modified: 2013/02/28 13:14 by daniel