# | Line 151 | Line 151 | double Thermo::getVolume() { | |
---|---|---|
151 | } | |
152 | ||
153 | double Thermo::getVolume() { | |
154 | < | double theBox[3]; |
155 | < | |
156 | < | entry_plug->getBox(theBox); |
157 | < | return (theBox[0] * theBox[1] * theBox[2]); |
154 | > | return entry_plug->boxVol; |
155 | } | |
156 | ||
157 | double Thermo::getPressure() { | |
# | Line 222 | Line 219 | void Thermo::getPressureTensor(double press[9]){ | |
219 | } | |
220 | #endif // is_mpi | |
221 | ||
222 | < | entry_plug->getBox(theBox); |
222 | > | volume = entry_plug->boxVol; |
223 | ||
227 | – | volume = theBox[0] * theBox[1] * theBox[2]; |
228 | – | |
224 | for(i=0; i<9; i++) { | |
225 | press[i] = (p_global[i] - entry_plug->tau[i]*e_convert) / volume; | |
226 | } |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |