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compute_slice.h
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Wed, Sep 4, 21:58
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rLAMMPS lammps
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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