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root/OpenMD/branches/development/src/integrators/VelocityVerletIntegrator.cpp

Comparing:
trunk/src/integrators/VelocityVerletIntegrator.cpp (file contents), Revision 1413 by gezelter, Mon Mar 22 19:21:22 2010 UTC vs.
branches/development/src/integrators/VelocityVerletIntegrator.cpp (file contents), Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 UTC

#	Line 73 | Line 73 | namespace OpenMD {
73		velocitizer_->removeComDrift();
74
75		// initialize the forces before the first step
76	<	calcForce(true, true);
76	>	calcForce();
77
78		// execute the constraint algorithm to make sure that the system is
79		// constrained at the very beginning
80		if (info_->getNGlobalConstraints() > 0) {
81		rattle->constraintA();
82	<	calcForce(true, true);
82	>	calcForce();
83		rattle->constraintB();
84		//copy the current snapshot to previous snapshot
85		info_->getSnapshotManager()->advance();
#	Line 216 | Line 216 | namespace OpenMD {
216		void VelocityVerletIntegrator::integrateStep() {
217
218		moveA();
219	<	calcForce(needPotential, needStress);
219	>	calcForce();
220		moveB();
221		}
222
223
224	<	void VelocityVerletIntegrator::calcForce(bool needPotential,
225	<	bool needStress) {
226	<	forceMan_->calcForces(needPotential, needStress);
224	>	void VelocityVerletIntegrator::calcForce() {
225	>	forceMan_->calcForces();
226		}
227
228		DumpWriter* VelocityVerletIntegrator::createDumpWriter() {

Comparing:
trunk/src/integrators/VelocityVerletIntegrator.cpp (property svn:keywords), Revision 1413 by gezelter, Mon Mar 22 19:21:22 2010 UTC vs.
branches/development/src/integrators/VelocityVerletIntegrator.cpp (property svn:keywords), Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 UTC

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

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