77 lines
1.9 KiB
C++
77 lines
1.9 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://www.lammps.org/, 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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// clang-format off
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FixStyle(aveforce,FixAveForce);
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// clang-format on
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#else
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#ifndef LMP_FIX_AVEFORCE_H
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#define LMP_FIX_AVEFORCE_H
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#include "fix.h"
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namespace LAMMPS_NS {
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class FixAveForce : public Fix {
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public:
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FixAveForce(class LAMMPS *, int, char **);
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~FixAveForce() override;
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int setmask() override;
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void init() override;
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void setup(int) override;
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void min_setup(int) override;
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void post_force(int) override;
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void post_force_respa(int, int, int) override;
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void min_post_force(int) override;
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double compute_vector(int) override;
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private:
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double xvalue, yvalue, zvalue;
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int varflag;
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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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int iregion;
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double foriginal_all[4];
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int nlevels_respa, ilevel_respa;
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};
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} // namespace LAMMPS_NS
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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 aveforce does not exist
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Self-explanatory.
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E: Variable name for fix aveforce does not exist
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Self-explanatory.
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E: Variable for fix aveforce is invalid style
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Only equal-style variables can be used.
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*/
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