potfit wiki

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Main page

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Download

Publications

Getting support

About potfit

User Guide

• Compiling potfit
• Options
• Running potfit
• Parameters
• Configuration files
• Potential models
• Potential files
• Interactions
  • Pair potentials
  • Angular pair potentials
  • EAM
  • Two band EAM
  • MEAM
  • ADP
  • Coulomb (pair)
  • Dipole (pair)
  • EAM + electrostatics
  • Stillinger-Weber
  • Tersoff
  • modified Tersoff
• Analytic functions
• Algorithms
• Output
• Units
• Utilities
• Limitations

Examples

• Configurations
• Potentials
• Parameter files
• Advanced Examples
• Tutorials

Potential Databases

• potfit potentials
• EAM potentials (Sheng)
• NIST repository

More

• Contributors
• Debugging
• Dev's Corner
• References
• Build server