Program Listing for File potentialHarmonicSloutskin.hpp

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#ifndef __potentialHarmonicSloutskin_HPP__
#define __potentialHarmonicSloutskin_HPP__

//host
#include "computeforceclass.hpp"

//

#include "../system/systemclass.hpp"
#include "../mesh/computegeometry.hpp"

class ComputeVertexHarmonicSpinEnergy : public ComputeForceClass
{
public:
  ComputeVertexHarmonicSpinEnergy(SystemClass &system) : ComputeForceClass(system)
  {
    m_name = "Harmonic";
    m_type = "edge";
    this->set_default_properties();
  }

  ~ComputeVertexHarmonicSpinEnergy() {}

  void set_default_properties(void) override
  {
    pymemb::vector<real> _k(NUM_TYPES_ALLOWED, 0.0);
    k = _k;
    pymemb::vector<real> _l0(NUM_TYPES_ALLOWED, 1.0);
    l0 = _l0;
    pymemb::vector<real> _Ea(NUM_TYPES_ALLOWED, 1.0);
    Ea = _Ea;
  }

  using ComputeForceClass::set_property;
  void set_property(std::map<std::string, std::map<std::string, std::string>> &region_map) override
  {
    for (const auto &item : region_map)
    {
      if (item.first.compare("k") == 0)
      {
        pymemb::vector<real> _k = util::from_dict_to_vector_types(pymemb::copy(k), item.second);
        k = _k;
      }
      else if (item.first.compare("l0") == 0)
      {
        pymemb::vector<real> _l0 = util::from_dict_to_vector_types(pymemb::copy(l0), item.second);
        l0 = _l0;
      }
      else if (item.first.compare("J") == 0)
      {
        pymemb::vector<real> _J = util::from_dict_to_vector_types(pymemb::copy(l0), item.second);
        J = _J;
      }
      else if (item.first.compare("Ea") == 0)
      {
        pymemb::vector<real> _Ea = util::from_dict_to_vector_types(pymemb::copy(l0), item.second);
        Ea = _Ea;
      }
      else
        this->print_warning_property_name(item.first);
    }
  }

  std::map<std::string, std::string> get_info(void) override
  {
    std::map<std::string, std::string> value;
    value["name"] = m_name;
    value["type"] = m_type;
    value["k"] = util::to_string_vec(k);
    value["l0"] = util::to_string_vec(l0);
    value["J"] = util::to_string_vec(J);
    value["Ea"] = util::to_string_vec(Ea);
    return value;
  }

  void compute_energy(void) override;
  void compute(void) override;
  real compute_edge_energy(int) override;
  real compute_vertex_energy(int) override;
  void compute_stress(void) override {}
  void compute_atomic_stress(void)override {}

private:
  pymemb::vector<real> k;
  pymemb::vector<real> l0;
  pymemb::vector<real> J;
  pymemb::vector<real> Ea;

};

#endif