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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10349 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2013-07-25 17:47:47 +00:00
parent f25feed9ff
commit 856f78e50a
25 changed files with 431 additions and 14 deletions
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20
src/atom_vec_charge.cpp
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@ -313,6 +313,11 @@ int AtomVecCharge::pack_border(int n, int *list, double *buf,
buf[m++] = q[j];
}
}
if (atom->nextra_border)
for (int iextra = 0; iextra < atom->nextra_border; iextra++)
m += modify->fix[atom->extra_border[iextra]]->pack_border(n,list,&buf[m]);
return m;
}
@ -388,6 +393,11 @@ int AtomVecCharge::pack_border_vel(int n, int *list, double *buf,
}
}
}
if (atom->nextra_border)
for (int iextra = 0; iextra < atom->nextra_border; iextra++)
m += modify->fix[atom->extra_border[iextra]]->pack_border(n,list,&buf[m]);
return m;
}
@ -423,6 +433,11 @@ void AtomVecCharge::unpack_border(int n, int first, double *buf)
mask[i] = static_cast<int> (buf[m++]);
q[i] = buf[m++];
}
if (atom->nextra_border)
for (int iextra = 0; iextra < atom->nextra_border; iextra++)
m += modify->fix[atom->extra_border[iextra]]->
unpack_border(n,first,&buf[m]);
}
/* ---------------------------------------------------------------------- */
@ -446,6 +461,11 @@ void AtomVecCharge::unpack_border_vel(int n, int first, double *buf)
v[i][1] = buf[m++];
v[i][2] = buf[m++];
}
if (atom->nextra_border)
for (int iextra = 0; iextra < atom->nextra_border; iextra++)
m += modify->fix[atom->extra_border[iextra]]->
unpack_border(n,first,&buf[m]);
}
/* ---------------------------------------------------------------------- */