--- trunk/src/brains/ForceManager.cpp 2006/05/17 21:51:42 963 +++ trunk/src/brains/ForceManager.cpp 2006/07/03 13:18:43 998 @@ -274,7 +274,7 @@ namespace oopse { //initialize data before passing to fortran RealType longRangePotential[LR_POT_TYPES]; RealType lrPot = 0.0; - + Vector3d totalDipole; Mat3x3d tau; short int passedCalcPot = needPotential; short int passedCalcStress = needStress; @@ -305,7 +305,16 @@ namespace oopse { for (int i=0; igetCalcBoxDipole()){ + getAccumulatedBoxDipole(totalDipole.getArrayPointer()); + curSnapshot->statData[Stats::BOX_DIPOLE_X] = totalDipole(0); + curSnapshot->statData[Stats::BOX_DIPOLE_Y] = totalDipole(1); + curSnapshot->statData[Stats::BOX_DIPOLE_Z] = totalDipole(2); + } + //store the tau and long range potential curSnapshot->statData[Stats::LONG_RANGE_POTENTIAL] = lrPot; curSnapshot->statData[Stats::VANDERWAALS_POTENTIAL] = longRangePotential[VDW_POT]; @@ -326,7 +335,7 @@ namespace oopse { for (rb = mol->beginRigidBody(rbIter); rb != NULL; rb = mol->nextRigidBody(rbIter)) { rb->calcForcesAndTorques(); } - } + } }