--- trunk/OOPSE/libmdtools/Thermo.cpp 2003/04/09 13:59:35 484 +++ trunk/OOPSE/libmdtools/Thermo.cpp 2003/04/10 16:22:00 486 @@ -184,13 +184,13 @@ void Thermo::getPressureTensor(double press[9]){ double vcom[3]; double p_local[9], p_global[9]; double theBox[3]; - double* tau; + //double* tau; int i, nMols; Molecule* molecules; nMols = entry_plug->n_mol; molecules = entry_plug->molecules; - tau = entry_plug->tau; + //tau = entry_plug->tau; // use velocities of molecular centers of mass and molecular masses: for (i=0; i < 9; i++) { @@ -227,7 +227,7 @@ void Thermo::getPressureTensor(double press[9]){ volume = theBox[0] * theBox[1] * theBox[2]; for(i=0; i<9; i++) { - press[i] = (p_global[i] - tau[i]*e_convert) / volume; + press[i] = (p_global[i] - entry_plug->tau[i]*e_convert) / volume; } }