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root/group/branches/no-template-branch/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.
branches/no-template-branch/OOPSE/libmdtools/NPT.cpp (file contents), Revision 831, Tue Oct 28 16:20:29 2003 UTC

# Line 1 | Line 1
1 < #include <cmath>
1 > #include <math.h>
2   #include "Atom.hpp"
3   #include "SRI.hpp"
4   #include "AbstractClasses.hpp"
# 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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