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fix_ave_histo_weight.h
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Mon, Nov 11, 09:00

fix_ave_histo_weight.h
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/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifdef FIX_CLASS
FixStyle(ave/histo/weight,FixAveHistoWeight)
#else
#ifndef LMP_FIX_AVE_HISTO_WEIGHT_H
#define LMP_FIX_AVE_HISTO_WEIGHT_H
#include <stdio.h>
#include "fix_ave_histo.h"
namespace LAMMPS_NS {
class FixAveHistoWeight : public FixAveHisto {
public:
FixAveHistoWeight(class LAMMPS *, int, char **);
~FixAveHistoWeight() {}
void end_of_step();
private:
void bin_one_weights(double, double);
void bin_vector_weights(int, double *, int, double *, int);
void bin_atoms_weights(double *, int, double *, int);
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Illegal ... command
Self-explanatory. Check the input script syntax and compare to the
documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line.
E: Fix ave/histo/weight value and weight vector lengths do not match
Self-explanatory.
E: Invalid timestep reset for fix ave/histo
Resetting the timestep has invalidated the sequence of timesteps this
fix needs to process.
E: Error writing out histogram data
Something in the output to the file triggered an error.
*/

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