--- trunk/mdtools/md_code/Thermo.cpp 2003/01/27 21:28:19 249 +++ trunk/mdtools/md_code/Thermo.cpp 2003/01/28 22:16:55 252 @@ -1,4 +1,6 @@ #include +#include + #ifdef IS_MPI #include @@ -162,6 +164,7 @@ 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 @@ -199,6 +202,7 @@ 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