| # | Line 181 | Line 181 | void Thermo::getPressureTensor(double press[3][3]){ | |
|---|---|---|
| 181 | double molmass, volume; | |
| 182 | double vcom[3]; | |
| 183 | double p_local[9], p_global[9]; | |
| 184 | < | int i, j, k, nMols; |
| 184 | > | int i, j, k, l, nMols; |
| 185 | Molecule* molecules; | |
| 186 | ||
| 187 | nMols = entry_plug->n_mol; | |
| # | Line 223 | Line 223 | void Thermo::getPressureTensor(double press[3][3]){ | |
| 223 | for(i = 0; i < 3; i++) { | |
| 224 | for (j = 0; j < 3; j++) { | |
| 225 | k = 3*i + j; | |
| 226 | < | press[i][j] = (p_global[k] - entry_plug->tau[k]*e_convert) / volume; |
| 226 | > | l = 3*j + i; |
| 227 | > | press[i][j] = (p_global[k] - entry_plug->tau[l]*e_convert) / volume; |
| 228 | } | |
| 229 | } | |
| 230 | } | |
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