Initialize volume of the box.

This commit is contained in:
Guilhem Lavaux 2013-06-11 10:48:04 +02:00
parent 26132586c0
commit 1553601028

View file

@ -54,12 +54,14 @@ void PositionData::findExtrema()
xyz_max[i] = -BF;
}
V0=1;
for (int i = 0; i < 3; i++)
{
for (pid_t p = 0; p < np; p++)
{
xyz_min[p] = min(xyz_min[p], xyz[p][i]);
xyz_max[p] = max(xyz_max[p], xyz[p][i]);
xyz_min[i] = min(xyz_min[i], xyz[i][p]);
xyz_max[i] = max(xyz_max[i], xyz[i][p]);
}
V0 *= (xyz_max[i]-xyz_min[i]);
}
}