Commit e26ebf96 authored by BRAMAS Berenger's avatar BRAMAS Berenger

Remove dl poly since the code is in testSphericalEwal

parent fb1bf2c5
// ===================================================================================
// Logiciel initial: ScalFmm Version 0.5
// Co-auteurs : Olivier Coulaud, Bérenger Bramas.
// Propriétaires : INRIA.
// Copyright © 2011-2012, diffusé sous les termes et conditions d’une licence propriétaire.
// Initial software: ScalFmm Version 0.5
// Co-authors: Olivier Coulaud, Bérenger Bramas.
// Owners: INRIA.
// Copyright © 2011-2012, spread under the terms and conditions of a proprietary license.
// ===================================================================================
#include <iostream>
#include <iomanip>
#include <cstdio>
#include <cstdlib>
#include "../../Src/Utils/FTic.hpp"
#include "../../Src/Utils/FParameters.hpp"
#include "../../Src/Containers/FOctree.hpp"
#include "../../Src/Containers/FVector.hpp"
#include "../../Src/Core/FFmmAlgorithm.hpp"
#include "../../Src/Kernels/Spherical/FSphericalKernel.hpp"
#include "../../Src/Kernels/Spherical/FSphericalCell.hpp"
#include "../../Src/Kernels/Spherical/FSphericalParticle.hpp"
#include "../../Src/Components/FSimpleLeaf.hpp"
//#include "../../Src/Files/FFmaLoader.hpp"
#include "../../Src/Files/FEwalLoader.hpp"
/** This program show an example of use of
* the fmm basic algo
* it also check that each particles is little or longer
* related that each other
*/
class DLPolyParticle : public FSphericalParticle {
public:
// Type of particle
enum Type{
OW,
HW,
Undefined,
};
private:
Type type; //< current type
int index; //< current index in array
public:
// Basic constructor
DLPolyParticle() : type(Undefined), index(-1) {
}
Type getType() const{
return type;
}
void setType(const Type inType) {
type = inType;
}
int getIndex() const{
return index;
}
void setIndex( const int inIndex ){
index = inIndex;
}
};
//
// ------------------------------------------------------------------
//
// Simply create particles and try the kernels
int main(int argc, char ** argv){
typedef DLPolyParticle ParticleClass;
typedef FSphericalCell CellClass;
typedef FVector<ParticleClass> ContainerClass;
typedef FSimpleLeaf<ParticleClass, ContainerClass > LeafClass;
typedef FOctree<ParticleClass, CellClass, ContainerClass , LeafClass > OctreeClass;
typedef FSphericalKernel<ParticleClass, CellClass, ContainerClass > KernelClass;
typedef FFmmAlgorithm<OctreeClass, ParticleClass, CellClass, ContainerClass, KernelClass, LeafClass > FmmClass;
///////////////////////What we do/////////////////////////////
std::cout << ">> This executable has to be used to test Spherical algorithm.\n";
std::cout << ">> You can pass -sequential or -task (thread by default).\n";
//////////////////////////////////////////////////////////////
const int DevP = FParameters::getValue(argc,argv,"-p", 8);
const int NbLevels = FParameters::getValue(argc,argv,"-h", 5);
const int SizeSubLevels = FParameters::getValue(argc,argv,"-sh", 3);
FTic counter;
//
const FReal coeff_MD= FReal( 138935.4835 / 418.4 );
//
const char* const filename = FParameters::getStr(argc,argv,"-f", "../Data/test20k.fma");
std::cout << "Opening : " << filename << "\n";
FEwalLoader<ParticleClass> loader(filename);
if(!loader.isOpen()){
std::cout << "Loader Error, " << filename << " is missing\n";
return 1;
}
// -----------------------------------------------------
CellClass::Init(DevP);
OctreeClass tree(NbLevels, SizeSubLevels, loader.getBoxWidth(), loader.getCenterOfBox());
// -----------------------------------------------------
std::cout << "Creating & Inserting " << loader.getNumberOfParticles() << " particles ..." << std::endl;
std::cout << "\tHeight : " << NbLevels << " \t sub-height : " << SizeSubLevels << std::endl;
counter.tic();
loader.fillTree(tree);
for(int idxPart = 0 ; idxPart < loader.getNumberOfParticles() ; ++idxPart){
ParticleClass particle;
loader.fillParticle(particle);
// reset forces and insert in the tree
particle.setIndex(idxPart);
particle.setForces(0,0,0);
particle.setPotential(0);
// insert in tree
tree.insert(particle);
}
counter.tac();
std::cout << "Done " << "(@Creating and Inserting Particles = " << counter.elapsed() << "s)." << std::endl;
// -----------------------------------------------------
std::cout << "Create kernel ..." << std::endl;
counter.tic();
KernelClass kernels(DevP, NbLevels, loader.getBoxWidth(), loader.getCenterOfBox());
counter.tac();
std::cout << "Done " << " in " << counter.elapsed() << "s)." << std::endl;
// -----------------------------------------------------
std::cout << "Working on particles ..." << std::endl;
FmmClass algo(&tree,&kernels);
counter.tic();
algo.execute();
counter.tac();
std::cout << "Done " << "(@Algorithm = " << counter.elapsed() << "s)." << std::endl;
{ // get sum forces&potential
FReal potential = 0;
FPoint forces;
OctreeClass::Iterator octreeIterator(&tree);
octreeIterator.gotoBottomLeft();
do{
ContainerClass::ConstBasicIterator iter(*octreeIterator.getCurrentListTargets());
while( iter.hasNotFinished() ){
potential += iter.data().getPotential() * iter.data().getPhysicalValue();
forces += iter.data().getForces();
std::cout << " " << iter.data().getIndex()+1 << " \t "<<
std::setprecision(5)<< iter.data().getPosition().getX() << " \t" <<
iter.data().getPosition().getY() << " \t" <<
iter.data().getPosition().getZ() << " Forces: \t"<<
std::setprecision(8) << iter.data().getForces().getX()*coeff_MD << " \t " <<
iter.data().getForces().getY()*coeff_MD << " \t " <<
iter.data().getForces().getZ()*coeff_MD << std::endl;
iter.gotoNext();
}
} while(octreeIterator.moveRight());
std::cout << "Foces Sum x = " << forces.getX() << " y = " << forces.getY() << " z = " << forces.getZ() << std::endl;
std::cout << "Potential = " << potential*coeff_MD << std::endl;
}
std::cout << "Constante DL_POLY: " << coeff_MD << std::endl;
// -----------------------------------------------------
return 0;
}
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