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root/OpenMD/trunk/src/rnemd/RNEMD.cpp
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Comparing trunk/src/rnemd/RNEMD.cpp (file contents):
Revision 1941 by gezelter, Tue Nov 5 16:49:04 2013 UTC vs.
Revision 1946 by gezelter, Tue Nov 12 02:18:35 2013 UTC

# Line 1937 | Line 1937 | namespace OpenMD {
1937        mass = sd->getMass();
1938        vel = sd->getVel();
1939        rPos = sd->getPos() - coordinateOrigin_;
1940 <      KE = mass * vel.lengthSquare();
1940 >      KE = 0.5 * mass * vel.lengthSquare();
1941        L = mass * cross(rPos, vel);
1942        I = outProduct(rPos, rPos) * mass;
1943        r2 = rPos.lengthSquare();
# Line 1959 | Line 1959 | namespace OpenMD {
1959          binCount[binNo]++;
1960          binMass[binNo] += mass;
1961          binP[binNo] += mass*vel;
1962        //binOmega[binNo] += dot(aVel, u);
1962          binKE[binNo] += KE;
1963          binI[binNo] += I;
1964          binL[binNo] += L;

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