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root/group/trunk/OOPSE/libmdtools/NPT.cpp
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Comparing trunk/OOPSE/libmdtools/NPT.cpp (file contents):
Revision 778 by mmeineke, Fri Sep 19 20:00:27 2003 UTC vs.
Revision 780 by mmeineke, Mon Sep 22 21:23:25 2003 UTC

# Line 66 | Line 66 | template<typename T> void NPT<T>::moveA() {
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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