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

Comparing trunk/OOPSE/libmdtools/Integrator.cpp (file contents):
Revision 1187 by chrisfen, Sat May 22 18:16:18 2004 UTC vs.
Revision 1221 by chrisfen, Wed Jun 2 14:56:18 2004 UTC

#	Line 185 \| Line 185 \| template<typename T> void Integrator<T>::integrate(voi
185		tStats->removeCOMdrift();
186
187		// initialize the retraints if necessary
188	<	if (info->useThermInt) {
188	>	if (info->useSolidThermInt && !info->useLiquidThermInt) {
189		myFF->initRestraints();
190		}
191
#	Line 255 \| Line 255 \| template<typename T> void Integrator<T>::integrate(voi
255
256		if (info->getTime() >= currStatus){
257		statOut->writeStat(info->getTime());
258	–	statOut->writeRaw(info->getTime());
258		calcPot = 0;
259		calcStress = 0;
260		currStatus += statusTime;
#	Line 279 \| Line 278 \| template<typename T> void Integrator<T>::integrate(voi
278		}
279
280		// dump out a file containing the omega values for the final configuration
281	<	if (info->useThermInt)
281	>	if (info->useSolidThermInt && !info->useLiquidThermInt)
282		myFF->dumpzAngle();
283
284

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