| # | 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 |