UegVertexGenerator.hpp

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#ifndef UEG_VERTEX_GENERATOR_DEFINED
#define UEG_VERTEX_GENERATOR_DEFINED
 
#include <array>
 
#include <algorithms/Algorithm.hpp>
 
namespace sisi4s {
using ivec = std::array<int, 3>;
using dvec = std::array<double, 4>;
 
class UegVertexGenerator : public Algorithm {
public:
  ALGORITHM_REGISTRAR_DECLARATION(UegVertexGenerator);
  ~UegVertexGenerator();
  UegVertexGenerator(std::vector<Argument> const &argumentList);
  void run();
 
  template <typename F>
  void run();
 
protected:
  double evalMadelung(double volume);
  double Vijji(const dvec a, const dvec b, const double v);
 
  bool halfGrid;
  size_t No, Nv, NF;
  double rs, madelung;
};
} // namespace sisi4s
 
#endif