--- trunk/OOPSE-3.0/src/brains/SimInfo.cpp 2005/04/15 22:04:00 2204 +++ trunk/OOPSE-3.0/src/brains/SimInfo.cpp 2005/05/05 14:47:35 2220 @@ -511,6 +511,7 @@ namespace oopse { int useDipole = 0; int useGayBerne = 0; int useSticky = 0; + int useStickyPower = 0; int useShape = 0; int useFLARB = 0; //it is not in AtomType yet int useDirectionalAtom = 0; @@ -529,10 +530,11 @@ namespace oopse { useDipole |= (*i)->isDipole(); useGayBerne |= (*i)->isGayBerne(); useSticky |= (*i)->isSticky(); + useStickyPower |= (*i)->isStickyPower(); useShape |= (*i)->isShape(); } - if (useSticky || useDipole || useGayBerne || useShape) { + if (useSticky || useStickyPower || useDipole || useGayBerne || useShape) { useDirectionalAtom = 1; } @@ -564,6 +566,9 @@ namespace oopse { temp = useSticky; MPI_Allreduce(&temp, &useSticky, 1, MPI_INT, MPI_LOR, MPI_COMM_WORLD); + temp = useStickyPower; + MPI_Allreduce(&temp, &useStickyPower, 1, MPI_INT, MPI_LOR, MPI_COMM_WORLD); + temp = useGayBerne; MPI_Allreduce(&temp, &useGayBerne, 1, MPI_INT, MPI_LOR, MPI_COMM_WORLD); @@ -588,6 +593,7 @@ namespace oopse { fInfo_.SIM_uses_Charges = useCharge; fInfo_.SIM_uses_Dipoles = useDipole; fInfo_.SIM_uses_Sticky = useSticky; + fInfo_.SIM_uses_StickyPower = useStickyPower; fInfo_.SIM_uses_GayBerne = useGayBerne; fInfo_.SIM_uses_EAM = useEAM; fInfo_.SIM_uses_Shapes = useShape;