86 lines
2.0 KiB
C++
86 lines
2.0 KiB
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(pair/tracker,FixPairTracker);
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// clang-format on
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#else
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#ifndef LMP_FIX_PAIR_TRACKING_H
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#define LMP_FIX_PAIR_TRACKING_H
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#include "fix.h"
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namespace LAMMPS_NS {
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class FixPairTracker : public Fix {
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public:
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FixPairTracker(class LAMMPS *, int, char **);
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~FixPairTracker();
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int setmask();
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void init();
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void post_force(int);
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double memory_usage();
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void lost_contact(int, int, double, double, double, double);
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private:
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int nvalues, nmax;
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int index_i, index_j;
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double tmin, rmin, rsum, time_initial, nstep_initial;
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double *vector;
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double **array;
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int **type_filter;
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int ncount;
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void reallocate(int);
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typedef void (FixPairTracker::*FnPtrPack)(int);
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FnPtrPack *pack_choice; // ptrs to pack functions
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void pack_id1(int);
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void pack_id2(int);
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void pack_time_created(int);
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void pack_time_broken(int);
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void pack_time_total(int);
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void pack_x(int);
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void pack_y(int);
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void pack_z(int);
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void pack_rmin(int);
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void pack_rave(int);
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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: Invalid keyword in fix pair/tracker command
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Self-explanatory.
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*/
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