| # | Line 204 | Line 204 | void Thermo::getPressureTensor(double press[3][3]){ | |
|---|---|---|
| 204 | double p_local[9], p_global[9]; | |
| 205 | int i, j, k; | |
| 206 | ||
| 207 | – | |
| 208 | – | |
| 207 | for (i=0; i < 9; i++) { | |
| 208 | p_local[i] = 0.0; | |
| 209 | p_global[i] = 0.0; | |
| # | Line 228 | Line 226 | void Thermo::getPressureTensor(double press[3][3]){ | |
| 226 | p_local[6] += molmass * (vcom[2] * vcom[0]); | |
| 227 | p_local[7] += molmass * (vcom[2] * vcom[1]); | |
| 228 | p_local[8] += molmass * (vcom[2] * vcom[2]); | |
| 229 | < | |
| 229 | > | |
| 230 | } | |
| 231 | ||
| 232 | // Get total for entire system from MPI. | |
| # | Line 243 | Line 241 | void Thermo::getPressureTensor(double press[3][3]){ | |
| 241 | ||
| 242 | volume = this->getVolume(); | |
| 243 | ||
| 244 | + | |
| 245 | + | |
| 246 | for(i = 0; i < 3; i++) { | |
| 247 | for (j = 0; j < 3; j++) { | |
| 248 | k = 3*i + j; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |