--- trunk/src/integrators/NPT.cpp 2005/05/29 00:06:14 546 +++ trunk/src/integrators/NPT.cpp 2006/05/17 21:51:42 963 @@ -66,7 +66,7 @@ namespace oopse { Globals* simParams = info_->getSimParams(); - if (!simParams->getUseInitXSstate()) { + if (!simParams->getUseIntialExtendedSystemState()) { Snapshot* currSnapshot = info_->getSnapshotManager()->getCurrentSnapshot(); currSnapshot->setChi(0.0); currSnapshot->setIntegralOfChiDt(0.0); @@ -137,7 +137,7 @@ namespace oopse { Molecule* mol; StuntDouble* integrableObject; Vector3d Tb, ji; - double mass; + RealType mass; Vector3d vel; Vector3d pos; Vector3d frc; @@ -256,13 +256,13 @@ namespace oopse { Vector3d sc; Vector3d vel; Vector3d frc; - double mass; + RealType mass; chi= currentSnapshot_->getChi(); integralOfChidt = currentSnapshot_->getIntegralOfChiDt(); - double oldChi = chi; - double prevChi; + RealType oldChi = chi; + RealType prevChi; loadEta();