# | Line 204 | Line 204 | void Thermo::getPressureTensor(double press[3][3]){ | |
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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 |