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fix_ave_histo_weight.h
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Tue, Oct 8, 14:06
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rLAMMPS lammps
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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