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

Comparing branches/development/src/primitives/Bend.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 Bend::calcForce(RealType& angle) {
48	>	void Bend::calcForce(RealType& angle, bool doParticlePot) {
49		Vector3d pos1 = atom1_->getPos();
50		Vector3d pos2 = atom2_->getPos();
51		Vector3d pos3 = atom3_->getPos();
#	Line 95 \| Line 95 \| namespace OpenMD {
95		atom2_->addFrc(force2);
96		atom3_->addFrc(force3);
97
98	<	atom1_->addParticlePot(potential_);
99	<	atom2_->addParticlePot(potential_);
100	<	atom3_->addParticlePot(potential_);
98	>	if (doParticlePot) {
99	>	atom1_->addParticlePot(potential_);
100	>	atom2_->addParticlePot(potential_);
101	>	atom3_->addParticlePot(potential_);
102	>	}
103
104		angle = theta /M_PI * 180.0;
105		}

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