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JAX MD documentation

Examples

  • Examples
    • Microcanonical Ensemble (NVE)
    • Canonical Ensemble (NVT) - Nose-Hoover
    • Isothermal-Isobaric Ensemble (NPT) - Nose-Hoover
    • Microcanonical Ensemble (NVE) with Neighbor Lists
    • Neural Network Potentials
    • Equivariant Neural Network Potentials
    • Harmonic Minimization
    • ReaxFF NVE Simulation
    • Multi-Image Neighbor Lists for Small Periodic Boxes
    • Symmetric Molecular Dynamics (SyMD)
    • OPLSAA Torsion Scan
    • UMA (Universal Models for Atoms) — JAX-MD
  • Units Examples
    • Metal Units (NVE Simulation)
    • Metal Units (NVT Simulation)
    • Metal Units (NPT Simulation)
    • Metal Units (NVK Simulation)
    • Metal Units (Berendsen Thermostat)
    • Metal Units (Velocity Rescaling)
    • Metal Units (CSVR Thermostat)
    • Metal Units (NPT Simulation - Melting)

Reference

  • Defining Spaces
  • Spatial Partitioning
  • Multi-Image Neighbor Lists
  • Potential Energy Functions
  • Energy Minimization Routines
  • Simulation Routines
  • Neural Network Primitives
  • Useful Quantities
  • Elasticity Routines
  • Rigid Body Simulations
  • Higher Order Functions
  • Multi-Image Structure Maps
  • jax_md.interpolate module
  • jax_md.dataclasses module
  • jax_md.mm_forcefields.reaxff package
  • .rst

Units Examples

Units Examples#

  • Metal Units (NVE Simulation)
  • Metal Units (NVT Simulation)
  • Metal Units (NPT Simulation)
  • Metal Units (NVK Simulation)
  • Metal Units (Berendsen Thermostat)
  • Metal Units (Velocity Rescaling)
  • Metal Units (CSVR Thermostat)
  • Metal Units (NPT Simulation - Melting)

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Metal Units (NVE Simulation)

By The JAX MD Authors

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