git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9703 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/USER-OMP/pair_lj_long_tip4p_long_omp.h

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+/* -*- 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: Axel Kohlmeyer (Temple U)
+------------------------------------------------------------------------- */
+
+#ifdef PAIR_CLASS
+
+PairStyle(lj/long/tip4p/long/omp,PairLJLongTIP4PLongOMP)
+
+#else
+
+#ifndef LMP_PAIR_LJ_LONG_TIP4P_LONG_OMP_H
+#define LMP_PAIR_LJ_LONG_TIP4P_LONG_OMP_H
+
+#include "pair_lj_long_tip4p_long.h"
+#include "thr_omp.h"
+
+namespace LAMMPS_NS {
+
+class PairLJLongTIP4PLongOMP : public PairLJLongTIP4PLong, public ThrOMP {
+
+ public:
+  PairLJLongTIP4PLongOMP(class LAMMPS *);
+  virtual ~PairLJLongTIP4PLongOMP();
+
+  virtual void compute(int, int);
+  virtual void compute_inner();
+  virtual void compute_middle();
+  virtual void compute_outer(int, int);
+  virtual double memory_usage();
+
+ private:
+  dbl3_t *newsite_thr;
+  int3_t *hneigh_thr;
+
+  template <const int EVFLAG, const int EFLAG,
+    const int NEWTON_PAIR, const int CTABLE, const int LJTABLE,
+    const int ORDER1, const int ORDER6 >
+  void eval(int, int, ThrData * const);
+
+  template <const int EVFLAG, const int EFLAG,
+    const int NEWTON_PAIR, const int CTABLE, const int LJTABLE,
+    const int ORDER1, const int ORDER6 >
+  void eval_outer(int, int, ThrData * const);
+
+
+  void eval_inner(int, int, ThrData *const);
+  void eval_middle(int, int, ThrData *const);
+
+  void compute_newsite_thr(const dbl3_t &, const dbl3_t &,
+                           const dbl3_t &, dbl3_t &) const;
+
+  
+
+};
+
+}
+
+#endif
+#endif