--- trunk/src/primitives/DirectionalAtom.cpp 2005/04/15 22:04:00 507 +++ trunk/src/primitives/DirectionalAtom.cpp 2005/10/12 21:00:59 663 @@ -63,10 +63,10 @@ namespace oopse { if (nLinearAxis > 1) { sprintf( painCave.errMsg, - "Directional Atom error.\n" + "Directional Atom warning.\n" "\tOOPSE found more than one axis in this directional atom with a vanishing \n" "\tmoment of inertia."); - painCave.isFatal = 1; + painCave.isFatal = 0; simError(); } @@ -148,9 +148,9 @@ namespace oopse { for (int j = 0; j < 3; j++ ) { - grad[3] += torque[j]*ephi[j]; - grad[4] += torque[j]*etheta[j]; - grad[5] += torque[j]*epsi[j]; + grad[3] -= torque[j]*ephi[j]; + grad[4] -= torque[j]*etheta[j]; + grad[5] -= torque[j]*epsi[j]; }