--- trunk/src/integrators/NVT.cpp 2005/05/27 21:11:24 545 +++ trunk/src/integrators/NVT.cpp 2005/05/29 00:06:14 546 @@ -248,7 +248,11 @@ namespace oopse { currentSnapshot_->setIntegralOfChiDt(integralOfChidt); } - + void NVT::resetIntegrator() { + currentSnapshot_->setChi(0.0); + currentSnapshot_->setIntegralOfChiDt(0.0); + } + double NVT::calcConservedQuantity() { double chi = currentSnapshot_->getChi();