[ViewVC] Diff of: OpenMD/trunk/src/applications/oopse/oopse.cpp

Comparing trunk/src/applications/oopse/oopse.cpp (file contents):
Revision 1359 by cli2, Wed Sep 10 19:51:45 2008 UTC vs.
Revision 1360 by cli2, Mon Sep 7 16:31:51 2009 UTC

#	Line 50 \| Line 50
50		#include "brains/SimCreator.hpp"
51		#include "brains/SimInfo.hpp"
52		#include "constraints/ZconstraintForceManager.hpp"
53	+	#include "restraints/RestraintForceManager.hpp"
54		#include "integrators/IntegratorFactory.hpp"
55		#include "integrators/Integrator.hpp"
56		#include "minimizers/MinimizerFactory.hpp"
#	Line 148 \| Line 149 \| *int main(int argc,char argv[]){**
149
150		//Thermodynamic Integration Method
151		//set the force manager for thermodynamic integration if specified
152	<	if (simParams->getUseSolidThermInt() \|\| simParams->getUseLiquidThermInt()){
152	>	if (simParams->getUseThermodynamicIntegration()){
153		ForceManager* fman = new ThermoIntegrationForceManager(info);
154		myIntegrator->setForceManager(fman);
155		}
156
157	+	// Restraints
158	+	if (simParams->getUseRestraints() && !simParams->getUseThermodynamicIntegration()) {
159	+	ForceManager* fman = new RestraintForceManager(info);
160	+	myIntegrator->setForceManager(fman);
161	+	}
162	+
163		//Zconstraint-Method
164		if (simParams->getNZconsStamps() > 0) {
165		info->setNZconstraint(simParams->getNZconsStamps());
#	Line 168 \| Line 175 \| *int main(int argc,char argv[]){**
175		painCave.isFatal = 1;
176		simError();
177		}
171	–
172	–
178
179		delete info;
180

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