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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(vector,FixVector)
#else
#ifndef LMP_FIX_VECTOR_H
#define LMP_FIX_VECTOR_H
#include "fix.h"
namespace LAMMPS_NS {
class FixVector : public Fix {
public:
FixVector(class LAMMPS *, int, char **);
~FixVector();
int setmask();
void init();
void setup(int);
void end_of_step();
double compute_vector(int);
double compute_array(int,int);
private:
int nvalues;
int *which,*argindex,*value2index;
char **ids;
bigint nextstep,initialstep;
int ncount; // # of values currently in growing vector or array
int ncountmax; // max # of values vector/array can hold
double *vector;
double **array;
};
}
#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 fix vector does not exist
Self-explanatory.
E: Fix vector compute does not calculate a scalar
Self-explanatory.
E: Fix vector compute does not calculate a vector
Self-explanatory.
E: Fix vector compute vector is accessed out-of-range
Self-explanatory.
E: Fix ID for fix vector does not exist
Self-explanatory.
E: Fix vector fix does not calculate a scalar
Self-explanatory.
E: Fix vector fix does not calculate a vector
Self-explanatory.
E: Fix vector fix vector is accessed out-of-range
Self-explanatory.
E: Fix for fix vector not computed at compatible time
Fixes generate their values on specific timesteps. Fix vector is
requesting a value on a non-allowed timestep.
E: Variable name for fix vector does not exist
Self-explanatory.
E: Fix vector variable is not equal-style variable
Self-explanatory.
E: Fix vector variable is not vector-style variable
UNDOCUMENTED
E: Fix vector cannot set output array intensive/extensive from these inputs
The inputs to the command have conflicting intensive/extensive attributes.
You need to use more than one fix vector command.
E: Overflow of allocated fix vector storage
This should not normally happen if the fix correctly calculated
how long the vector will grow to. Contact the developers.
*/