/* -*- c++ -*- ----------------------------------------------------------
   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
   http://lammps.sandia.gov, Sandia National Laboratories
   Steve Plimpton, sjplimp@sandia.gov

   Copyright (2003) Sandia Corporation.  Under the terms of Contract
   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
   certain rights in this software.  This software is distributed under
   the GNU General Public License.

   See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */

/* ----------------------------------------------------------------------
   Contributing author: W. Michael Brown (Intel)
------------------------------------------------------------------------- */

#ifdef IMPROPER_CLASS

ImproperStyle(harmonic/intel,ImproperHarmonicIntel)

#else

#ifndef LMP_IMPROPER_HARMONIC_INTEL_H
#define LMP_IMPROPER_HARMONIC_INTEL_H

#include <stdio.h>
#include "improper_harmonic.h"
#include "fix_intel.h"

namespace LAMMPS_NS {

class ImproperHarmonicIntel : public ImproperHarmonic {
 public:
  ImproperHarmonicIntel(class LAMMPS *);
  virtual ~ImproperHarmonicIntel();
  virtual void compute(int, int);
  virtual void init_style();

 protected:
  FixIntel *fix;

  template <class flt_t> class ForceConst;
  template <class flt_t, class acc_t>
  void compute(int eflag, int vflag, IntelBuffers<flt_t,acc_t> *buffers,
               const ForceConst<flt_t> &fc);
  template <int EVFLAG, int EFLAG, int NEWTON_BOND, class flt_t, class acc_t>
  void eval(const int vflag, IntelBuffers<flt_t,acc_t> * buffers, 
	    const ForceConst<flt_t> &fc);
  template <class flt_t, class acc_t>
  void pack_force_const(ForceConst<flt_t> &fc,
                        IntelBuffers<flt_t, acc_t> *buffers);

  #ifdef _LMP_INTEL_OFFLOAD
  int _use_base;
  #endif

  template <class flt_t>
  class ForceConst {
   public:
    typedef struct { flt_t k, chi; } fc_packed1;

    fc_packed1 *fc;

    ForceConst() : _nimpropertypes(0)  {}
    ~ForceConst() { set_ntypes(0, NULL); }

    void set_ntypes(const int nimpropertypes, Memory *memory);

   private:
    int _nimpropertypes;
    Memory *_memory;
  };
  ForceConst<float> force_const_single;
  ForceConst<double> force_const_double;
};

}

#endif
#endif

/* ERROR/WARNING messages:

W: Improper problem: %d %ld %d %d %d %d

Conformation of the 4 listed improper atoms is extreme; you may want
to check your simulation geometry.

E: Incorrect args for improper coefficients

Self-explanatory.  Check the input script or data file.

*/
