potfit wiki

open source force-matching

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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.


  • 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


potfit is available as open source software released under the GPL.

The latest version can be downloaded here.

start.1362063326.txt.gz ยท Last modified: 2013/02/28 15:55 by daniel