--- trunk/OOPSE/libmdtools/Thermo.cpp 2003/07/10 17:10:56 588 +++ trunk/OOPSE/libmdtools/Thermo.cpp 2003/07/10 22:15:53 590 @@ -181,7 +181,7 @@ void Thermo::getPressureTensor(double press[3][3]){ double molmass, volume; double vcom[3]; double p_local[9], p_global[9]; - int i, j, k, nMols; + int i, j, k, l, nMols; Molecule* molecules; nMols = entry_plug->n_mol; @@ -223,7 +223,8 @@ void Thermo::getPressureTensor(double press[3][3]){ for(i = 0; i < 3; i++) { for (j = 0; j < 3; j++) { k = 3*i + j; - press[i][j] = (p_global[k] - entry_plug->tau[k]*e_convert) / volume; + l = 3*j + i; + press[i][j] = (p_global[k] - entry_plug->tau[l]*e_convert) / volume; } } }