forked from lijiext/lammps
63 lines
1.7 KiB
C++
63 lines
1.7 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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#ifndef FIX_DEFORM_H
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#define FIX_DEFORM_H
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#include "fix.h"
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namespace LAMMPS_NS {
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class FixDeform : public Fix {
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public:
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int remapflag; // whether x,v are remapped across PBC
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int dimflag[6]; // which dims are deformed
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FixDeform(class LAMMPS *, int, char **);
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~FixDeform();
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int setmask();
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void init();
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void pre_exchange();
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void end_of_step();
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private:
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int triclinic,scaleflag,flip;
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double *h_rate,*h_ratelo;
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int kspace_flag; // 1 if KSpace invoked, 0 if not
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int nrigid; // number of rigid fixes
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int *rfix; // indices of rigid fixes
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double TWOPI;
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struct Set {
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int style,substyle;
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double flo,fhi,ftilt;
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double dlo,dhi,dtilt;
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double scale,vel,rate;
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double amplitude,tperiod;
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double lo_initial,hi_initial;
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double lo_start,hi_start,lo_stop,hi_stop,lo_target,hi_target;
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double tilt_initial,tilt_start,tilt_stop,tilt_target,tilt_flip;
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double tilt_min,tilt_max;
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double vol_initial,vol_start;
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int fixed,dynamic1,dynamic2;
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};
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Set *set;
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void options(int, char **);
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};
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}
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#endif
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