--- trunk/OOPSE/libmdtools/SimSetup.cpp 2003/07/22 16:41:08 644 +++ trunk/OOPSE/libmdtools/SimSetup.cpp 2003/07/22 19:54:52 645 @@ -1281,20 +1281,20 @@ void SimSetup::makeIntegrator( void ){ void SimSetup::makeIntegrator( void ){ - NVT* myNVT = NULL; - NPTi* myNPTi = NULL; - NPTf* myNPTf = NULL; - NPTim* myNPTim = NULL; - NPTfm* myNPTfm = NULL; + NVT* myNVT = NULL; + NPTi* myNPTi = NULL; + NPTf* myNPTf = NULL; + NPTim* myNPTim = NULL; + NPTfm* myNPTfm = NULL; switch( ensembleCase ){ case NVE_ENS: - new NVE( info, the_ff ); + new NVE( info, the_ff ); break; case NVT_ENS: - myNVT = new NVT( info, the_ff ); + myNVT = new NVT( info, the_ff ); myNVT->setTargetTemp(globals->getTargetTemp()); if (globals->haveTauThermostat()) @@ -1310,7 +1310,7 @@ void SimSetup::makeIntegrator( void ){ break; case NPTi_ENS: - myNPTi = new NPTi( info, the_ff ); + myNPTi = new NPTi( info, the_ff ); myNPTi->setTargetTemp( globals->getTargetTemp() ); if (globals->haveTargetPressure()) @@ -1345,7 +1345,7 @@ void SimSetup::makeIntegrator( void ){ break; case NPTf_ENS: - myNPTf = new NPTf( info, the_ff ); + myNPTf = new NPTf( info, the_ff ); myNPTf->setTargetTemp( globals->getTargetTemp()); if (globals->haveTargetPressure()) @@ -1380,7 +1380,7 @@ void SimSetup::makeIntegrator( void ){ break; case NPTim_ENS: - myNPTim = new NPTim( info, the_ff ); + myNPTim = new NPTim( info, the_ff ); myNPTim->setTargetTemp( globals->getTargetTemp()); if (globals->haveTargetPressure()) @@ -1415,7 +1415,7 @@ void SimSetup::makeIntegrator( void ){ break; case NPTfm_ENS: - myNPTfm = new NPTfm( info, the_ff ); + myNPTfm = new NPTfm( info, the_ff ); myNPTfm->setTargetTemp( globals->getTargetTemp()); if (globals->haveTargetPressure())