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compute_slice.h
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Mon, Jul 29, 20:23

compute_slice.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 COMPUTE_CLASS
ComputeStyle(slice,ComputeSlice)
#else
#ifndef LMP_COMPUTE_SLICE_H
#define LMP_COMPUTE_SLICE_H
#include "compute.h"
namespace LAMMPS_NS {
class ComputeSlice : public Compute {
public:
ComputeSlice(class LAMMPS *, int, char **);
virtual ~ComputeSlice();
void init();
void compute_vector();
void compute_array();
private:
int me;
int nstart,nstop,nskip,nvalues;
int *which,*argindex,*value2index;
char **ids;
void extract_one(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: Compute ID for compute slice does not exist
Self-explanatory.
E: Compute slice compute does not calculate a global array
Self-explanatory.
E: Compute slice compute vector is accessed out-of-range
The index for the vector is out of bounds.
E: Compute slice compute does not calculate a global vector
Self-explanatory.
E: Compute slice compute array is accessed out-of-range
An index for the array is out of bounds.
E: Compute slice compute does not calculate global vector or array
Self-explanatory.
E: Fix ID for compute slice does not exist
Self-explanatory.
E: Compute slice fix does not calculate a global array
Self-explanatory.
E: Compute slice fix vector is accessed out-of-range
The index for the vector is out of bounds.
E: Compute slice fix does not calculate a global vector
Self-explanatory.
E: Compute slice fix array is accessed out-of-range
An index for the array is out of bounds.
E: Compute slice fix does not calculate global vector or array
Self-explanatory.
E: Fix used in compute slice not computed at compatible time
Fixes generate their values on specific timesteps. Compute slice is
requesting a value on a non-allowed timestep.
*/

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