DeePMD-kit’s documentation

Contents:

• Download and install
  • Easy installation methods
  • Install the python interface
  • Install the C++ interface
• Use DeePMD-kit
  • Prepare data
  • Train a model
  • Freeze a model
  • Test a model
  • Model inference
  • Run MD with LAMMPS
  • Run path-integral MD with i-PI
  • Use deep potential with ASE
• Training parameters
• pair_style deepmd command
  • Syntax
  • Examples
  • Description
  • Restrictions
• DeePMD-kit API

Indices and tables

• Index
• Module Index
• Search Page