# | Line 66 | Line 66 | template<typename T> void NPT<T>::moveA() { | |
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66 | double COM[3]; | |
67 | ||
68 | instaTemp = tStats->getTemperature(); | |
69 | < | instaPress = tStats->getPressure(); |
69 | > | tStats->getPressureTensor( press ); |
70 | > | instaPress = p_convert * (press[0][0] + press[1][1] + press[2][2]) / 3.0; |
71 | instaVol = tStats->getVolume(); | |
72 | ||
73 | tStats->getCOM(COM); |
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