--- trunk/mdtools/md_code/Thermo.cpp 2003/01/28 22:16:55 252 +++ trunk/mdtools/md_code/Thermo.cpp 2003/01/30 15:20:21 253 @@ -1,7 +1,7 @@ #include #include +using namespace std; - #ifdef IS_MPI #include #endif //is_mpi @@ -16,7 +16,10 @@ Thermo::Thermo( SimInfo* the_entry_plug ) { Thermo::Thermo( SimInfo* the_entry_plug ) { entry_plug = the_entry_plug; int baseSeed = BASE_SEED; + + cerr << "creating thermo stream\n"; gaussStream = new gaussianSPRNG( baseSeed ); + cerr << "created thermo stream\n"; } Thermo::~Thermo(){ @@ -164,7 +167,6 @@ void Thermo::velocitize() { ndf = ndfRaw - n_constraints - 3; kebar = kb * temperature * (double)ndf / ( 2.0 * (double)ndfRaw ); - printf("Entered Velocitize\n"); for(vr = 0; vr < n_atoms; vr++){ // uses equipartition theory to solve for vbar in angstrom/fs @@ -202,7 +204,7 @@ void Thermo::velocitize() { x = drand48(); y = drand48(); vz = vbar * sqrt( -2.0 * log(x)) * cos(2 * M_PI * y); - printf("Setting new velocities vx: %f\n",vx); + #endif // use_spring #ifdef USE_SPRNG