[ViewVC] Diff of: OpenMD/branches/development/src/rnemd/RNEMD.cpp

Comparing branches/development/src/rnemd/RNEMD.cpp (file contents):
Revision 1874 by gezelter, Wed May 15 15:09:35 2013 UTC vs.
Revision 1875 by gezelter, Fri May 17 14:41:42 2013 UTC

#	Line 1597 \| Line 1597 \| namespace OpenMD {
1597
1598		Vector3d ac, acrec, bc, bcrec;
1599		Vector3d ah, ahrec, bh, bhrec;
1600	–	RealType cNumerator, cDenominator;
1601	–	RealType hNumerator, hDenominator;
1600
1603	–
1601		bool successfulExchange = false;
1602		if ((Mh > 0.0) && (Mc > 0.0)) {//both slabs are not empty
1603		Vector3d vc = Pc / Mc;
#	Line 1614 \| Line 1611 \| namespace OpenMD {
1611		bc = -(Ici * angularMomentumTarget_) + omegac;
1612		bcrec = bc - omegac;
1613
1614	<	cNumerator = Kc - kineticTarget_;
1614	>	RealType cNumerator = Kc - kineticTarget_;
1615		if (doLinearPart)
1616		cNumerator -= 0.5 * Mc * ac.lengthSquare();
1617
#	Line 1623 \| Line 1620 \| namespace OpenMD {
1620
1621		if (cNumerator > 0.0) {
1622
1623	<	cDenominator = Kc;
1623	>	RealType cDenominator = Kc;
1624
1625		if (doLinearPart)
1626		cDenominator -= 0.5 * Mc * vc.lengthSquare();
#	Line 1646 \| Line 1643 \| namespace OpenMD {
1643		bh = (Ihi * angularMomentumTarget_) + omegah;
1644		bhrec = bh - omegah;
1645
1646	<	hNumerator = Kh + kineticTarget_;
1646	>	RealType hNumerator = Kh + kineticTarget_;
1647		if (doLinearPart)
1648		hNumerator -= 0.5 * Mh * ah.lengthSquare();
1649
#	Line 1655 \| Line 1652 \| namespace OpenMD {
1652
1653		if (hNumerator > 0.0) {
1654
1655	<	hDenominator = Kh;
1655	>	RealType hDenominator = Kh;
1656		if (doLinearPart)
1657		hDenominator -= 0.5 * Mh * vh.lengthSquare();
1658		if (doAngularPart)

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