start
This is an old revision of the document!
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.
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
start.1362063326.txt.gz ยท Last modified: 2013/02/28 15:55 by daniel