[ViewVC] Diff of: OpenMD/branches/development/src/primitives/GhostBend.cpp

Comparing branches/development/src/primitives/GhostBend.cpp (file contents):
Revision 1665 by gezelter, Tue Nov 22 20:38:56 2011 UTC vs.
Revision 1712 by gezelter, Sat May 19 13:30:21 2012 UTC

#	Line 45 \| Line 45 \| namespace OpenMD {
45		namespace OpenMD {
46
47		/*@todo still a lot left to improve/
48	<	void GhostBend::calcForce(RealType& angle) {
48	>	void GhostBend::calcForce(RealType& angle, bool doParticlePot) {
49		DirectionalAtom* ghostAtom = static_cast<DirectionalAtom*>(atom2_);
50
51		Vector3d pos1 = atom1_->getPos();
#	Line 95 \| Line 95 \| namespace OpenMD {
95		ghostAtom->addFrc(-force1);
96
97		ghostAtom->addTrq( cross(r23, force3) );
98	+	if(doParticlePot) {
99	+	atom1_->addParticlePot(potential_);
100	+	ghostAtom->addParticlePot(potential_);
101	+	}
102
99	–	atom1_->addParticlePot(potential_);
100	–	ghostAtom->addParticlePot(potential_);
101	–
103		angle = theta /M_PI * 180.0;
104
105		}

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