Interatomic potentials

Contents

• Tersoff potential (1988)
  • Potential form
  • File format
• Tersoff potential (1989)
  • Potential form
  • File format
• Tersoff mini-potential
  • Potential form
  • Parameters
  • File format
• Lennard-Jones potential
  • File format
• Embedded atom method
  • Potential form
  • File format
  • Table format
  • Maximum neighbour count (eam/alloy)
• Force constant potential
  • Potential form
  • File format
• Neuroevolution potential
  • The neural network model
  • The descriptor
  • Model dimensions
  • Optimization procedure
• Spin potential
  • Energy model
  • Spin3 radial channels
  • Canonical edge-moment bank
  • O/C contraction hierarchy
  • Symmetries
  • Model dimensions
  • Energy derivatives
  • Spin loss terms
  • Model formats and input
• Hybrid NEP+ILP potential
  • Potential form
  • File format
  • Examples
• Hybrid SW+ILP potential
  • Potential form
  • File format
• Hybrid Tersoff+ILP potential
  • Potential form
  • File format
• Angular Dependent Potential (ADP)
  • Potential form
  • File format
  • Table format
  • Usage
  • References