[ViewVC] Diff of: OpenMD/trunk/test/brains/DirectioanlAtom.cpp

Comparing trunk/test/brains/DirectioanlAtom.cpp (file contents):
Revision 147 by tim, Sat Oct 23 23:09:46 2004 UTC vs.
Revision 189 by tim, Thu Oct 28 22:34:01 2004 UTC

#	Line 37 \| Line 37 \| void DirectionalAtom::setI(Mat3x3d& I) {
37
38		void DirectionalAtom::setI(Mat3x3d& I) {
39		inertiaTensor_ = I;
40	+	}
41	+
42	+	void DirectionalAtom::setPrevA(const RotMat3x3d& a) {
43	+	(snapshotMan_->getPrevSnapshot())->storage_->aMat[localIndex_] = a;
44	+	(snapshotMan_->getPrevSnapshot())->storage_->unitVector[localIndex_] = a.inverse() * sU_.getColum(2);
45	+	}
46	+
47	+
48	+	void DirectionalAtom::setA(const RotMat3x3d& a) {
49	+	(snapshotMan_->getCurrentSnapshot())->storage_->aMat[localIndex_] = a;
50	+	(snapshotMan_->getCurrentSnapshot())->storage_->unitVector[localIndex_] = a.inverse() * sU_.getColum(2);
51		}
52	+
53	+	void DirectionalAtom::setA(const RotMat3x3d& a, int snapshotNo) {
54	+	(snapshotMan_->getSnapshot(snapshotNo))->storage_->aMat[localIndex_] = a;
55	+	(snapshotMan_->getSnapshot(snapshotNo))->storage_->unitVector[localIndex_] = a.inverse() * sU_.getColum(2);
56	+	}
57
58	+
59	+
60	+	void DirectionalAtom::setUnitFrameFromEuler(double phi, double theta, double psi) {
61	+	sU_.setupRotMat(phi,theta,psi);
62	+
63	+	}
64	+
65		std::vector<double> DirectionalAtom::getGrad() {
66		vector<double> grad(6, 0.0);
67		Vector3d force;

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