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fix_vector.h
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Mon, Sep 9, 16:42
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Wed, Sep 11, 16:42 (1 d, 23 h)
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rLAMMPS lammps
fix_vector.h
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/* ----------------------------------------------------------------------
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,*offcol;
char **ids;
int ncount; // # of values currently in growing vector or array
double *vector;
double **array;
};
}
#endif
#endif
/* ERROR/WARNING messages:
*/
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