C++ API

Class Hierarchy

• Namespace deepmd

  • Struct NeighborListData

  • Struct tf_exception

  • Template Class AtomMap

  • Class DeepPot

  • Class DeepPotModelDevi

  • Class DeepTensor

  • Class DipoleChargeModifier

• Struct DeviceFunctor

File Hierarchy

• Directory source

  • Directory cc

    • Directory include

      • File AtomMap.h

      • File common.h

      • File custom_op.h

      • File DataModifier.h

      • File DeepPot.h

      • File DeepTensor.h

Full API

Namespaces

• Namespace deepmd
  • Classes
  • Functions
  • Typedefs

• Namespace tensorflow

Classes and Structs

• Struct NeighborListData
  • Struct Documentation

• Struct tf_exception
  • Inheritance Relationships
    • Base Type
  • Struct Documentation

• Struct DeviceFunctor
  • Struct Documentation

• Template Class AtomMap
  • Class Documentation

• Class DeepPot
  • Class Documentation

• Class DeepPotModelDevi
  • Class Documentation

• Class DeepTensor
  • Class Documentation

• Class DipoleChargeModifier
  • Class Documentation

Functions

• Function deepmd::check_status
  • Function Documentation

• Function deepmd::get_env_nthreads
  • Function Documentation

• Function deepmd::model_compatable
  • Function Documentation

• Function deepmd::name_prefix
  • Function Documentation

• Function deepmd::select_by_type
  • Function Documentation

• Template Function deepmd::select_map(std::vector<VT>&, const std::vector<VT>&, const std::vector<int>&, const int&)
  • Function Documentation

• Template Function deepmd::select_map(typename std::vector<VT>::iterator, const typename std::vector<VT>::const_iterator, const std::vector<int>&, const int&)
  • Function Documentation

• Template Function deepmd::select_map_inv(std::vector<VT>&, const std::vector<VT>&, const std::vector<int>&, const int&)
  • Function Documentation

• Template Function deepmd::select_map_inv(typename std::vector<VT>::iterator, const typename std::vector<VT>::const_iterator, const std::vector<int>&, const int&)
  • Function Documentation

• Function deepmd::select_real_atoms
  • Function Documentation

• Template Function deepmd::session_get_scalar
  • Function Documentation

• Template Function deepmd::session_get_vector
  • Function Documentation

• Function deepmd::session_input_tensors(std::vector<std::pair<std::string, tensorflow::Tensor>>&, const std::vector<VALUETYPE>&, const int&, const std::vector<int>&, const std::vector<VALUETYPE>&, const VALUETYPE&, const std::vector<VALUETYPE>&, const std::vector<VALUETYPE>&, const deepmd::AtomMap<VALUETYPE>&, const std::string)
  • Function Documentation

• Function deepmd::session_input_tensors(std::vector<std::pair<std::string, tensorflow::Tensor>>&, const std::vector<VALUETYPE>&, const int&, const std::vector<int>&, const std::vector<VALUETYPE>&, InputNlist&, const std::vector<VALUETYPE>&, const std::vector<VALUETYPE>&, const deepmd::AtomMap<VALUETYPE>&, const int, const int, const std::string)
  • Function Documentation

Typedefs

• Typedef CPUDevice
  • Typedef Documentation

• Typedef deepmd::ENERGYTYPE
  • Typedef Documentation

• Typedef deepmd::STRINGTYPE
  • Typedef Documentation

• Typedef deepmd::VALUETYPE
  • Typedef Documentation

• Typedef GPUDevice
  • Typedef Documentation