--- trunk/src/constraints/Rattle.cpp 2005/04/15 22:04:00 507 +++ trunk/src/constraints/Rattle.cpp 2006/05/17 21:51:42 963 @@ -160,10 +160,10 @@ namespace oopse { currentSnapshot_->wrapVector(pab); - double pabsq = pab.lengthSquare(); + RealType pabsq = pab.lengthSquare(); - double rabsq = consPair->getConsDistSquare(); - double diffsq = rabsq - pabsq; + RealType rabsq = consPair->getConsDistSquare(); + RealType diffsq = rabsq - pabsq; // the original rattle code from alan tidesley if (fabs(diffsq) > (consTolerance_ * rabsq * 2)){ @@ -175,17 +175,17 @@ namespace oopse { currentSnapshot_->wrapVector(rab); - double rpab = dot(rab, pab); - double rpabsq = rpab * rpab; + RealType rpab = dot(rab, pab); + RealType rpabsq = rpab * rpab; if (rpabsq < (rabsq * -diffsq)){ return consFail; } - double rma = 1.0 / consElem1->getMass(); - double rmb = 1.0 / consElem2->getMass(); + RealType rma = 1.0 / consElem1->getMass(); + RealType rmb = 1.0 / consElem2->getMass(); - double gab = diffsq / (2.0 * (rma + rmb) * rpab); + RealType gab = diffsq / (2.0 * (rma + rmb) * rpab); Vector3d delta = rab * gab; @@ -234,12 +234,12 @@ namespace oopse { currentSnapshot_->wrapVector(rab); - double rma = 1.0 / consElem1->getMass(); - double rmb = 1.0 / consElem2->getMass(); + RealType rma = 1.0 / consElem1->getMass(); + RealType rmb = 1.0 / consElem2->getMass(); - double rvab = dot(rab, dv); + RealType rvab = dot(rab, dv); - double gab = -rvab / ((rma + rmb) * consPair->getConsDistSquare()); + RealType gab = -rvab / ((rma + rmb) * consPair->getConsDistSquare()); if (fabs(gab) > consTolerance_){ Vector3d delta = rab * gab;