ViewVC Help

View File | Revision Log | Show Annotations | View Changeset | Root Listing

root/OpenMD/trunk/src/restraints/ObjectRestraint.cpp

Comparing trunk/src/restraints/ObjectRestraint.cpp (file contents):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
Revision 1442 by gezelter, Mon May 10 17:28:26 2010 UTC

#	Line 46 | Line 46 | namespace OpenMD {
46		void ObjectRestraint::calcForce(Vector3d struc) {
47
48		pot_ = 0.0;
49	–
49		if (restType_ & rtDisplacement) {
50		Vector3d del = struc - refPos_;
51	<	RealType r = del.length();
51	>	RealType r = del.length();
52		Vector3d frc = -kDisp_ * del;
53		RealType p = 0.5 * kDisp_ * del.lengthSquare();
54	<	pot_ += p;
54	>	pot_ = p;
55		force_ = frc * scaleFactor_;
56		restInfo_[rtDisplacement] = std::make_pair(r,p);
57		}
#	Line 73 | Line 72 | namespace OpenMD {
72
73		RealType twistAngle, swingAngle;
74		Vector3d swingAxis;
75	<	RealType tw, swingX, swingY;
75	>	RealType swingX, swingY;
76
77	<	quat.getTwistSwingAxisAngle(twistAngle, swingAngle, swingAxis);
78	<	quat.toSwingTwist(tw, swingX, swingY);
79	<
77	>	quat.toSwingTwist(swingX, swingY, twistAngle);
78	>
79	>
80		RealType dVdtwist, dVdswingX, dVdswingY;
81		RealType dTwist, dSwingX, dSwingY;
82		RealType p;

Comparing trunk/src/restraints/ObjectRestraint.cpp (property svn:keywords):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
Revision 1442 by gezelter, Mon May 10 17:28:26 2010 UTC

#	Line 0 | Line 1
1	+	Author Id Revision Date

Diff Legend

–	Removed lines
+	Added lines
<	Changed lines
>	Changed lines