--- trunk/OOPSE/libmdtools/Thermo.cpp 2004/06/07 14:09:02 1251 +++ trunk/OOPSE/libmdtools/Thermo.cpp 2004/06/08 16:49:46 1253 @@ -204,8 +204,6 @@ void Thermo::getPressureTensor(double press[3][3]){ double p_local[9], p_global[9]; int i, j, k; - - for (i=0; i < 9; i++) { p_local[i] = 0.0; p_global[i] = 0.0; @@ -228,7 +226,7 @@ void Thermo::getPressureTensor(double press[3][3]){ p_local[6] += molmass * (vcom[2] * vcom[0]); p_local[7] += molmass * (vcom[2] * vcom[1]); p_local[8] += molmass * (vcom[2] * vcom[2]); - + } // Get total for entire system from MPI. @@ -243,6 +241,8 @@ void Thermo::getPressureTensor(double press[3][3]){ volume = this->getVolume(); + + for(i = 0; i < 3; i++) { for (j = 0; j < 3; j++) { k = 3*i + j;