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DeePMD-kit Logo
v3.0.0a0

Getting Started

  • Getting Started

Advanced

  • 1. Backend
  • 2. Installation
  • 3. Data
  • 4. Model
  • 5. Training
  • 6. Freeze and Compress
  • 7. Test
  • 8. Inference
  • 9. Command line interface
  • 10. Integrate with third-party packages
  • 11. Use NVNMD
  • 12. FAQs

Tutorial

  • Tutorials
  • Publications

Developer Guide

  • Find DeePMD-kit C/C++ library from CMake
  • Create a model in TensorFlow
  • Create a model in PyTorch
  • Atom Type Embedding
  • Coding Conventions
  • CI/CD
  • Python API
  • OP API
  • C++ API
  • C API
    • Class Hierarchy
    • File Hierarchy
    • Full API
      • Namespaces
        • Namespace deepmd
        • Namespace deepmd::hpp
        • Namespace std
      • Classes and Structs
      • Functions
      • Defines
      • Typedefs
  • Core API

Project Details

  • License
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DeePMD-kit
  • C API
  • Namespace deepmd::hpp
  • Edit on GitHub

Namespace deepmd::hpp

Contents

  • Classes

  • Functions

Classes

  • Struct deepmd_exception

  • Struct InputNlist

  • Class DeepPot

  • Class DeepPotModelDevi

  • Class DeepTensor

  • Class DipoleChargeModifier

Functions

  • Function deepmd::hpp::convert_nlist

  • Function deepmd::hpp::convert_pbtxt_to_pb

  • Function deepmd::hpp::read_file_to_string

  • Template Function deepmd::hpp::select_by_type

  • Template Function deepmd::hpp::select_map

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