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root/group/trunk/OOPSE-4/src/integrators/SMIPDForceManager.cpp
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Comparing trunk/OOPSE-4/src/integrators/SMIPDForceManager.cpp (file contents):
Revision 3457 by chuckv, Sun Sep 14 01:32:26 2008 UTC vs.
Revision 3458 by chuckv, Fri Oct 3 17:47:08 2008 UTC

# Line 240 | Line 240 | namespace oopse {
240  
241      surfaceMesh_->computeHull(localSites_);
242      Area0_ = surfaceMesh_->getArea();
243 <
244 <
243 >    //variance_ = 2.0 * OOPSEConstant::kb*simParams->getTargetTemp()/simParams->getDt();
244 >    
245    }  
246  
247    std::map<std::string, HydroProp*> SMIPDForceManager::parseFrictionFile(const std::string& filename) {
# Line 277 | Line 277 | namespace oopse {
277      int fdf;
278    
279      fdf = 0;
280 <
281 <  
280 >  
281      /*Compute surface Mesh*/
282      surfaceMesh_->computeHull(localSites_);
283  
284      /* Get area and number of surface stunt doubles and compute new variance */
285 <    RealType area = surfaceMesh_->getArea();
286 <    RealType nSurfaceSDs = surfaceMesh_->getNs();
287 <    
288 <    std::cerr << "Surface Area is: " << area << " nSurfaceSDs is: " << nSurfaceSDs << std::endl;
285 >     //RealType area = surfaceMesh_->getArea();
286 >     //RealType nSurfaceSDs = surfaceMesh_->getNs();
287 >
288 > //    std::cerr << "Surface Area is: " << area << " nSurfaceSDs is: " << nSurfaceSDs << std::endl;
289  
290      /* Compute variance for random forces */
291      
292 <    variance_ = sqrt(2.0*NumericConstant::PI)*(targetPressure_*area/nSurfaceSDs);
293 <
292 > //    variance_ = sqrt(2.0*NumericConstant::PI)*(targetPressure_*area/nSurfaceSDs);
293 >    
294 > //    std::vector<Triangle*> sMesh = surfaceMesh_->getMesh();
295 > //    std::vector<RealType>  randNums = genTriangleForces(sMesh.size(),variance_);
296 >  
297      /* Loop over the mesh faces and apply random force to each of the faces*/
298 <
299 <    std::vector<Triangle*> sMesh = surfaceMesh_->getMesh();
300 <    std::vector<Triangle*>::iterator face;
301 <    std::vector<StuntDouble*>::iterator vertex;
298 >    
299 >    
300 > //    std::vector<Triangle*>::iterator face;
301 > //    std::vector<StuntDouble*>::iterator vertex;
302 > /*    
303      for (face = sMesh.begin(); face != sMesh.end(); ++face){
304      
305        Triangle* thisTriangle = *face;
306        std::vector<StuntDouble*> vertexSDs = thisTriangle->getVertices();
307  
308        for (vertex = vertexSDs.begin(); vertex != vertexSDs.end(); ++vertex){
309 <         Vector3d randomForce;
310 <         Vector3d randomTorque;
308 <         genRandomForceAndTorque(randomForce, randomTorque, index, variance_);
309 <         mass = integrableObject->getMass();
309 >            std::cout << (*vertex)->getPos() << std::endl;
310 >         // mass = integrableObject->getMass();
311  
312 <         integrableObject->addFrc(randomForce);          
312 >         //      integrableObject->addFrc(randomForce);          
313        }
314  
315  
316      }
317 <
318 <
318 <
317 >  */
318 >    /*
319      for (mol = info_->beginMolecule(i); mol != NULL; mol = info_->nextMolecule(i)) {
320  
321        
# Line 476 | Line 476 | namespace oopse {
476      
477        }
478      }    
479 <
480 <    info_->setFdf(fdf);
479 >    */
480 >    // info_->setFdf(fdf);
481      // veloMunge->removeComDrift();
482      // Remove angular drift if we are not using periodic boundary conditions.
483      //if(!simParams->getUsePeriodicBoundaryConditions())
484      //  veloMunge->removeAngularDrift();
485  
486 <    ForceManager::postCalculation(needStress);  
486 >    //ForceManager::postCalculation(needStress);  
487    }
488  
489   void SMIPDForceManager::genRandomForceAndTorque(Vector3d& force, Vector3d& torque, unsigned int index, RealType variance) {

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