do not reset box (i.e. apply shrink-wrapping) for systems without atoms

This commit is contained in:
Axel Kohlmeyer
2019-10-08 02:40:08 -04:00
parent 80610d82df
commit ac82f78667

View File

@ -352,6 +352,11 @@ void Domain::set_local_box()
void Domain::reset_box()
{
// perform shrink-wrapping
// nothing to do for empty systems
if (atom->natoms == 0) return;
// compute extent of atoms on this proc
// for triclinic, this is done in lamda space