LjPmeKSpace.h

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#ifndef LJ_PME_K_SPACE_H__
#define LJ_PME_K_SPACE_H__

#include "LjPmeBase.h"
#include "Lattice.h"

class LjPmeKSpace {

public:
  LjPmeKSpace(LjPmeGrid grid);
  ~LjPmeKSpace();

  double compute_energy(float *q_arr, const Lattice &lattice, double ewald,
                        double *virial);
  
private:
  template <int order>
  void compute_b_moduli(double *bm, int K);
  void dftmod(double *bsp_mod, double *bsp_arr, int nfft);

  // B-spline module
  double *bm1, *bm2, *bm3;

  const LjPmeGrid myGrid;
};

#endif