DeePMD-kit
refactor-docs

Getting Started

  • Getting Started

Advanced

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

Developer Guide

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

Project Details

  • License
  • Authors and Credits
DeePMD-kit
  • »
  • Python Module Index

Python Module Index

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- deepmd
    deepmd.cluster.local
    deepmd.cluster.slurm
    deepmd.descriptor.hybrid
    deepmd.descriptor.loc_frame
    deepmd.descriptor.se_a
    deepmd.descriptor.se_a_ebd
    deepmd.descriptor.se_a_ef
    deepmd.descriptor.se_ar
    deepmd.descriptor.se_r
    deepmd.descriptor.se_t
    deepmd.fit.dipole
    deepmd.fit.ener
    deepmd.fit.polar
    deepmd.fit.wfc
    deepmd.infer.data_modifier
    deepmd.infer.deep_eval
    deepmd.infer.deep_polar
    deepmd.infer.deep_pot
    deepmd.infer.deep_wfc
    deepmd.infer.ewald_recp
    deepmd.loss.ener
    deepmd.loss.tensor
    deepmd.model.ener
    deepmd.model.tensor
    deepmd.train.trainer
    deepmd.utils.data
    deepmd.utils.data_system
    deepmd.utils.learning_rate
    deepmd.utils.network

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