--- branches/new_design/OOPSE-2.0/src/integrators/NVT.cpp 2004/12/03 00:26:07 1840 +++ branches/new_design/OOPSE-2.0/src/integrators/NVT.cpp 2004/12/03 17:59:45 1841 @@ -10,26 +10,26 @@ NVT::NVT(SimInfo* info) : VelocityVerletIntegrator(inf NVT::NVT(SimInfo* info) : VelocityVerletIntegrator(info), chiTolerance_ (1e-6) { - Globals* globals = info_->getGlobals(); + Globals* simParams = info_->getSimParams(); - if (globals->getUseInitXSstate()) { + if (simParams->getUseInitXSstate()) { Snapshot* currSnapshot = info_->getSnapshotManager()->getCurrentSnapshot(); currSnapshot->setChi(0.0); currSnapshot->setIntegralOfChiDt(0.0); } - if (!globals->haveTargetTemp()) { + if (!simParams->haveTargetTemp()) { sprintf(painCave.errMsg, "You can't use the NVT integrator without a targetTemp_!\n"); painCave.isFatal = 1; painCave.severity = OOPSE_ERROR; simError(); } else { - targetTemp_ = globals->getTargetTemp(); + targetTemp_ = simParams->getTargetTemp(); } // We must set tauThermostat_. - if (!globals->haveTauThermostat()) { + if (!simParams->haveTauThermostat()) { sprintf(painCave.errMsg, "If you use the constant temperature\n" "\tintegrator, you must set tauThermostat_.\n"); @@ -37,7 +37,7 @@ NVT::NVT(SimInfo* info) : VelocityVerletIntegrator(inf painCave.isFatal = 1; simError(); } else { - tauThermostat_ = globals->getTauThermostat(); + tauThermostat_ = simParams->getTauThermostat(); } update();