--- trunk/OOPSE/libmdtools/NVT.cpp 2003/10/29 00:19:10 837 +++ trunk/OOPSE/libmdtools/NVT.cpp 2003/11/06 19:11:38 853 @@ -1,3 +1,5 @@ +#include + #include "Atom.hpp" #include "SRI.hpp" #include "AbstractClasses.hpp" @@ -269,9 +271,6 @@ template double NVT::getConservedQuanti conservedQuantity = Energy + thermostat_kinetic + thermostat_potential; - cerr << info->getTime() << "\t" << Energy << "\t" << thermostat_kinetic << - "\t" << thermostat_potential << "\t" << conservedQuantity << endl; - return conservedQuantity; } @@ -280,7 +279,7 @@ template string NVT::getAdditionalParam const int BUFFERSIZE = 2000; // size of the read buffer char buffer[BUFFERSIZE]; - sprintf(buffer,"\t%g\t%g;", chi, integralOfChidt); + sprintf(buffer,"\t%G\t%G;", chi, integralOfChidt); parameters += buffer; return parameters;