Namespace deepmd

Classes

• Struct NeighborListData

• Struct tf_exception

• Template Class AtomMap

• Class DeepPot

• Class DeepPotModelDevi

• Class DeepTensor

• Class DipoleChargeModifier

Functions

• Function deepmd::check_status

• Function deepmd::get_env_nthreads

• Function deepmd::model_compatable

• Function deepmd::name_prefix

• Function deepmd::select_by_type

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

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

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

• 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 deepmd::select_real_atoms

• Template Function deepmd::session_get_scalar

• Template Function deepmd::session_get_vector

• 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 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)

Typedefs

• Typedef deepmd::ENERGYTYPE

• Typedef deepmd::STRINGTYPE

• Typedef deepmd::VALUETYPE