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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7531 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-01-10 21:27:15 +00:00
parent cc8860522a
commit ef06e2b12d
2 changed files with 17 additions and 4 deletions
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15
src/MOLECULE/atom_vec_angle.cpp
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@ -398,6 +398,20 @@ int AtomVecAngle::pack_border_vel(int n, int *list, double *buf,
dz = pbc[2];
}
if (!deform_vremap) {
for (i = 0; i < n; i++) {
j = list[i];
buf[m++] = x[j][0] + dx;
buf[m++] = x[j][1] + dy;
buf[m++] = x[j][2] + dz;
buf[m++] = tag[j];
buf[m++] = type[j];
buf[m++] = mask[j];
buf[m++] = molecule[j];
buf[m++] = v[j][0];
buf[m++] = v[j][1];
buf[m++] = v[j][2];
}
} else {
dvx = pbc[0]*h_rate[0] + pbc[5]*h_rate[5] + pbc[4]*h_rate[4];
dvy = pbc[1]*h_rate[1] + pbc[3]*h_rate[3];
dvz = pbc[2]*h_rate[2];
@ -420,7 +434,6 @@ int AtomVecAngle::pack_border_vel(int n, int *list, double *buf,
buf[m++] = v[j][2];
}
}
} else {
}
}
return m;