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DeePMD-kit
  • File ComputeDescriptor.h
  • Edit on GitHub

File ComputeDescriptor.h

↰ Parent directory (source/lib/include)

Contents

  • Definition (source/lib/include/ComputeDescriptor.h)

  • Includes

  • Functions

Definition (source/lib/include/ComputeDescriptor.h)

  • Program Listing for File ComputeDescriptor.h

Includes

  • SimulationRegion.h (File SimulationRegion.h)

  • algorithm

  • cassert

  • iterator

  • switcher.h (File switcher.h)

  • utilities.h (File utilities.h)

Functions

  • Function compute_descriptor(std::vector<double>&, std::vector<double>&, std::vector<double>&, std::vector<double>&, std::vector<double>&, std::vector<double>&, std::vector<double>&, const std::vector<double>&, const int&, const std::vector<int>&, const SimulationRegion<double>&, const bool&, const int&, const std::vector<int>&, const std::vector<int>&, const std::vector<int>&, const std::vector<int>&, const int, const int, const int, const int)

  • Function compute_descriptor(std::vector<double>&, std::vector<double>&, std::vector<double>&, const std::vector<double>&, const int&, const std::vector<int>&, const SimulationRegion<double>&, const bool&, const int&, const std::vector<int>&, const std::vector<int>&, const std::vector<int>&, const std::vector<int>&, const int, const int, const int, const int)

  • Function compute_descriptor_se_a_ef_para

  • Function compute_descriptor_se_a_ef_vert

  • Function compute_descriptor_se_a_extf

  • Function compute_dRdT

  • Function compute_dRdT_1

  • Function compute_dRdT_2


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