DeePMD-kit
v2.0.0

Getting Started

  • Getting Started

Advanced

  • 1. Installation
  • 2. Data
  • 3. Model
  • 4. Training
  • 5. Freeze and Compress
  • 6. Test
    • 6.1. Test a model
    • 6.2. Calculate Model Deviation
  • 7. Inference
  • 8. Integrate with third-party packages
  • 9. FAQs

Developer Guide

  • Coding Conventions
  • Atom Type Embedding
  • Python API
  • C++ API

Project Details

  • License
  • Authors and Credits
DeePMD-kit
  • »
  • 6. Test
  • Edit on GitHub

6. Test

  • 6.1. Test a model
  • 6.2. Calculate Model Deviation
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