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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12076 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-06-04 22:51:05 +00:00
parent 01820feacd
commit b220b43477
2 changed files with 30 additions and 0 deletions
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28
src/atom_vec_hybrid.cpp
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@ -1002,6 +1002,34 @@ void AtomVecHybrid::write_vel(FILE *fp, int n, double **buf)
}
}
/* ----------------------------------------------------------------------
assign an index to named atom property and return index
returned value encodes which sub-style and index returned by sub-style
return -1 if name is unknown to any sub-styles
------------------------------------------------------------------------- */
int AtomVecHybrid::property_atom(char *name)
{
for (int k = 0; k < nstyles; k++) {
int index = styles[k]->property_atom(name);
if (index >= 0) return index*nstyles + k;
}
return -1;
}
/* ----------------------------------------------------------------------
pack per-atom data into buf for ComputePropertyAtom
index maps to data specific to this atom style
------------------------------------------------------------------------- */
void AtomVecHybrid::pack_property_atom(int multiindex, double *buf,
int nvalues, int groupbit)
{
int k = multiindex % nstyles;
int index = multiindex/nstyles;
styles[k]->pack_property_atom(index,buf,nvalues,groupbit);
}
/* ----------------------------------------------------------------------
allstyles = list of all atom styles in this LAMMPS executable
------------------------------------------------------------------------- */

2
src/atom_vec_hybrid.h
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@ -63,6 +63,8 @@ class AtomVecHybrid : public AtomVec {
void write_data(FILE *, int, double **);
void pack_vel(double **);
void write_vel(FILE *, int, double **);
int property_atom(char *);
void pack_property_atom(int, double *, int, int);
bigint memory_usage();
private: