[ViewVC] Diff of: group/trunk/OOPSE/libmdtools/Integrator.cpp

Comparing trunk/OOPSE/libmdtools/Integrator.cpp (file contents):
Revision 781 by tim, Mon Sep 22 23:07:57 2003 UTC vs.
Revision 784 by mmeineke, Wed Sep 24 19:34:39 2003 UTC

#	Line 25 \| Line 25 \| template<typename T> Integrator<T>::Integrator(SimInfo
25		if (info->the_integrator != NULL){
26		delete info->the_integrator;
27		}
28	<	info->the_integrator = this;
29	<
28	>
29		nAtoms = info->n_atoms;
30
31		// check for constraints
#	Line 174 \| Line 173 \| template<typename T> void Integrator<T>::integrate(voi
173		dt = info->dt;
174		dt2 = 0.5 * dt;
175
176	+	readyCheck();
177	+
178		// initialize the forces before the first step
179
180		calcForce(1, 1);
#	Line 199 \| Line 200 \| template<typename T> void Integrator<T>::integrate(voi
200		dumpOut->writeDump(info->getTime());
201		statOut->writeStat(info->getTime());
202
202	–	readyCheck();
203
204	+
205		#ifdef IS_MPI
206		strcpy(checkPointMsg, "The integrator is ready to go.");
207		MPIcheckPoint();

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