apply test for overlap with rigid bodies to set and velocity command

This commit is contained in:
Axel Kohlmeyer
2017-06-05 13:06:53 -04:00
parent 95d6f05a76
commit 968de8548c
2 changed files with 28 additions and 0 deletions

View File

@ -585,6 +585,28 @@ void Set::set(int keyword)
}
}
// check if properties of atoms in rigid bodies are updated
// that are cached as per-body data.
switch (keyword) {
case X:
case Y:
case Z:
case MOLECULE:
case MASS:
case ANGMOM:
case SHAPE:
case DIAMETER:
case DENSITY:
case QUAT:
case IMAGE:
if (modify->check_rigid_list_overlap(select))
error->warning(FLERR,"Changing a property of atoms in rigid bodies "
"that has no effect unless rigid bodies are rebuild");
break;
default: // assume no conflict for all other properties
break;
}
// loop over selected atoms
AtomVecEllipsoid *avec_ellipsoid =