70 lines
1.8 KiB
C++
70 lines
1.8 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(ave/histo/weight,FixAveHistoWeight)
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#else
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#ifndef LMP_FIX_AVE_HISTO_WEIGHT_H
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#define LMP_FIX_AVE_HISTO_WEIGHT_H
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#include "fix_ave_histo.h"
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namespace LAMMPS_NS {
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class FixAveHistoWeight : public FixAveHisto {
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public:
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FixAveHistoWeight(class LAMMPS *, int, char **);
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~FixAveHistoWeight() {}
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void end_of_step();
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private:
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void bin_one_weights(double, double);
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void bin_vector_weights(int, double *, int, double *, int);
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void bin_atoms_weights(double *, int, double *, int);
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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: Fix ave/histo/weight value and weight vector lengths do not match
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Self-explanatory.
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E: Invalid timestep reset for fix ave/histo
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Resetting the timestep has invalidated the sequence of timesteps this
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fix needs to process.
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E: Fix ave/histo/weight option not yet supported
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UNDOCUMENTED
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E: Error writing out histogram data
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Something in the output to the file triggered an error.
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*/
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