potfit wiki

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Main page

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Download

Publications

Contact

About potfit

User Guide

• Compiling potfit
• Options
• Running potfit
• Parameters
• Configuration files
• Potential models
• Potential files
• Interactions
• Analytic functions
• Algorithms
• Output
• Units
• Utilities
  • force2imd
  • force2poscar
  • list_config
  • makeapot
  • plotapot
  • potfit_setup
  • vasp2force
  • awk scripts
• 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