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lammps/src/USER-OMP/pair_morse_smooth_linear_omp.h
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pair_morse_smooth_linear_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.
-------------------------------------------------------------------------
Contributed by Stefan Paquay @ Eindhoven University of Technology
Most code stolen from pair_morse_omp.h
------------------------------------------------------------------------- */
#ifdef PAIR_CLASS
PairStyle(morse/smooth/linear/omp,PairMorseSmoothLinearOMP)
#else
#ifndef LMP_PAIR_MORSE_SMOOTH_LINEAR_OMP_H
#define LMP_PAIR_MORSE_SMOOTH_LINEAR_OMP_H
#include "pair_morse_smooth_linear.h"
#include "thr_omp.h"
namespace LAMMPS_NS {
class PairMorseSmoothLinearOMP : public PairMorseSmoothLinear, public ThrOMP {
public:
PairMorseSmoothLinearOMP(class LAMMPS *);
virtual void compute(int, int);
virtual double memory_usage();
private:
template <int EVFLAG, int EFLAG, int NEWTON_PAIR>
void eval( int ifrom, int ito, ThrData * const thr );
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Illegal ... command
Self-explanatory. Check the input script syntax and compare to the
documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line.
E: Incorrect args for pair coefficients
Self-explanatory. Check the input script or data file.
E: All pair coeffs are not set
All pair coefficients must be set in the data file or by the
pair_coeff command before running a simulation.
*/
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