--- trunk/OOPSE/libmdtools/NVT.cpp 2003/11/06 19:11:38 853 +++ trunk/OOPSE/libmdtools/NVT.cpp 2003/11/06 22:01:37 855 @@ -29,21 +29,25 @@ template NVT::NVT ( SimInfo *theInfo, F have_chi_tolerance = 0; integralOfChidt = 0.0; - // retrieve chi and integralOfChidt from simInfo - data = info->getProperty(CHIVALUE_ID); - if(data){ - chiValue = dynamic_cast(data); - } - data = info->getProperty(INTEGRALOFCHIDT_ID); - if(data){ - integralOfChidtValue = dynamic_cast(data); - } + if( theInfo->useInitXSstate ){ - // chi and integralOfChidt should appear by pair - if(chiValue && integralOfChidtValue){ - chi = chiValue->getData(); - integralOfChidt = integralOfChidtValue->getData(); + // retrieve chi and integralOfChidt from simInfo + data = info->getProperty(CHIVALUE_ID); + if(data){ + chiValue = dynamic_cast(data); + } + + data = info->getProperty(INTEGRALOFCHIDT_ID); + if(data){ + integralOfChidtValue = dynamic_cast(data); + } + + // chi and integralOfChidt should appear by pair + if(chiValue && integralOfChidtValue){ + chi = chiValue->getData(); + integralOfChidt = integralOfChidtValue->getData(); + } } oldVel = new double[3*nAtoms];