Template Function deepmd::session_input_tensors(std::vector>&, const std::vector&, const int&, const std::vector&, const std::vector&, const double&, const std::vector&, const std::vector&, const deepmd::AtomMap&, const std::string, const bool)

Template 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 double&, const std::vector<VALUETYPE>&, const std::vector<VALUETYPE>&, const deepmd::AtomMap&, const std::string, const bool)#

Function Documentation#

template<typename MODELTYPE, typename VALUETYPE>
int deepmd::session_input_tensors(std::vector<std::pair<std::string, tensorflow::Tensor>> &input_tensors, const std::vector<VALUETYPE> &dcoord_, const int &ntypes, const std::vector<int> &datype_, const std::vector<VALUETYPE> &dbox, const double &cell_size, const std::vector<VALUETYPE> &fparam_, const std::vector<VALUETYPE> &aparam_, const deepmd::AtomMap &atommap, const std::string scope = "", const bool aparam_nall = false)#

Get input tensors.

Parameters:

  • input_tensors – [out] Input tensors.

  • dcoord_ – [in] Coordinates of atoms.

  • ntypes – [in] Number of atom types.

  • datype_ – [in] Atom types.

  • dbox – [in] Box matrix.

  • cell_size – [in] Cell size.

  • fparam_ – [in] Frame parameters.

  • aparam_ – [in] Atom parameters.

  • atommap – [in] Atom map.

  • scope – [in] The scope of the tensors.

  • aparam_nall – [in] Whether the atomic dimension of atomic parameters is nall.