add a warning if the bonded cutoff is large
This should print a warning when 2x the bonded interaction cutoff list larger then other cutoffs, as was the setting before the performance optimization with the change in 2690075405
This commit is contained in:
@ -388,7 +388,10 @@ void PairReaxC::init_style( )
|
||||
neighbor->requests[irequest]->ghost = 1;
|
||||
|
||||
cutmax = MAX3(control->nonb_cut, control->hbond_cut, control->bond_cut);
|
||||
|
||||
if ((cutmax < 2.0*control->bond_cut) && (comm->me == 0))
|
||||
error->warning(FLERR,"Total cutoff < 2*bond cutoff. May need to use an "
|
||||
"increased neighbor list skin.");
|
||||
|
||||
for( int i = 0; i < LIST_N; ++i )
|
||||
lists[i].allocated = 0;
|
||||
|
||||
|
||||
Reference in New Issue
Block a user