forked from lijiext/lammps
63 lines
1.4 KiB
C++
63 lines
1.4 KiB
C++
/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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http://lammps.sandia.gov, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifdef FIX_CLASS
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FixStyle(wall/region,FixWallRegion)
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#else
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#ifndef LMP_FIX_WALL_REGION_H
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#define LMP_FIX_WALL_REGION_H
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#include "fix.h"
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namespace LAMMPS_NS {
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class FixWallRegion : public Fix {
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public:
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FixWallRegion(class LAMMPS *, int, char **);
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~FixWallRegion();
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int setmask();
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void init();
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void setup(int);
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void min_setup(int);
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void post_force(int);
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void post_force_respa(int, int, int);
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void min_post_force(int);
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double compute_scalar();
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double compute_vector(int);
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private:
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int style,iregion;
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double epsilon,sigma,cutoff;
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int eflag;
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double ewall[4],ewall_all[4];
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int nlevels_respa;
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double dt;
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char *idregion;
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double coeff1,coeff2,coeff3,coeff4,offset;
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double eng,fwall;
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void lj93(double);
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void lj126(double);
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void colloid(double, double);
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void harmonic(double);
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};
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}
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#endif
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#endif
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