--- trunk/src/integrators/NPT.cpp 2004/09/24 04:16:43 2 +++ trunk/src/integrators/NPT.cpp 2004/10/21 16:22:01 132 @@ -1,17 +1,17 @@ #include -#include "Atom.hpp" -#include "SRI.hpp" -#include "AbstractClasses.hpp" -#include "SimInfo.hpp" -#include "ForceFields.hpp" -#include "Thermo.hpp" -#include "ReadWrite.hpp" -#include "Integrator.hpp" -#include "simError.h" +#include "primitives/Atom.hpp" +#include "primitives/SRI.hpp" +#include "primitives/AbstractClasses.hpp" +#include "brains/SimInfo.hpp" +#include "UseTheForce/ForceFields.hpp" +#include "brains/Thermo.hpp" +#include "io/ReadWrite.hpp" +#include "integrators/Integrator.hpp" +#include "utils/simError.h" #ifdef IS_MPI -#include "mpiSimulation.hpp" +#include "brains/mpiSimulation.hpp" #endif @@ -29,8 +29,8 @@ template NPT::NPT ( SimInfo *theInfo, F T( theInfo, the_ff ) { GenericData* data; - DoubleData * chiValue; - DoubleData * integralOfChidtValue; + DoubleGenericData * chiValue; + DoubleGenericData * integralOfChidtValue; chiValue = NULL; integralOfChidtValue = NULL; @@ -48,12 +48,12 @@ template NPT::NPT ( SimInfo *theInfo, F // retrieve chi and integralOfChidt from simInfo data = info->getProperty(CHIVALUE_ID); if(data){ - chiValue = dynamic_cast(data); + chiValue = dynamic_cast(data); } data = info->getProperty(INTEGRALOFCHIDT_ID); if(data){ - integralOfChidtValue = dynamic_cast(data); + integralOfChidtValue = dynamic_cast(data); } // chi and integralOfChidt should appear by pair