forked from lijiext/lammps
87 lines
2.0 KiB
C++
87 lines
2.0 KiB
C++
/* -*- 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(setforce,FixSetForce)
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#else
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#ifndef LMP_FIX_SET_FORCE_H
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#define LMP_FIX_SET_FORCE_H
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#include "fix.h"
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namespace LAMMPS_NS {
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class FixSetForce : public Fix {
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public:
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FixSetForce(class LAMMPS *, int, char **);
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virtual ~FixSetForce();
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int setmask();
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virtual void init();
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void setup(int);
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void min_setup(int);
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virtual 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_vector(int);
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double memory_usage();
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protected:
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double xvalue,yvalue,zvalue;
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int varflag,iregion;
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char *xstr,*ystr,*zstr;
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char *idregion;
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int xvar,yvar,zvar,xstyle,ystyle,zstyle;
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double foriginal[3],foriginal_all[3];
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int force_flag;
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int nlevels_respa,ilevel_respa;
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int maxatom;
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double **sforce;
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};
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}
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#endif
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#endif
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/* ERROR/WARNING messages:
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E: Illegal ... command
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Self-explanatory. Check the input script syntax and compare to the
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documentation for the command. You can use -echo screen as a
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command-line option when running LAMMPS to see the offending line.
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E: Region ID for fix setforce does not exist
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Self-explanatory.
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E: Variable name for fix setforce does not exist
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Self-explanatory.
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E: Variable for fix setforce is invalid style
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Only equal-style variables can be used.
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E: Cannot use non-zero forces in an energy minimization
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Fix setforce cannot be used in this manner. Use fix addforce
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instead.
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*/
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