--- trunk/src/integrators/NPT.cpp 2005/05/27 21:11:24 545 +++ trunk/src/integrators/NPT.cpp 2005/05/29 00:06:14 546 @@ -336,6 +336,18 @@ namespace oopse { currentSnapshot_->setIntegralOfChiDt(integralOfChidt); saveEta(); + } + + void NPT::resetIntegrator(){ + currentSnapshot_->setChi(0.0); + currentSnapshot_->setIntegralOfChiDt(0.0); + resetEta(); } + + void NPT::resetEta() { + Mat3x3d etaMat(0.0); + currentSnapshot_->setEta(etaMat); + } + }