コード例 #1
0
void init(dynamo::Simulation& Sim, const double density)
{
  RNG.seed(std::random_device()());
  Sim.ranGenerator.seed(std::random_device()());

  const double elasticity = 1.0;
  const size_t cells = 7;
  const double wallkT = 1.0;

  std::unique_ptr<dynamo::UCell> packptr(new dynamo::CUFCC(std::array<long, 3>{{cells, cells, cells}}, dynamo::Vector(1,1,1), new dynamo::UParticle()));
  packptr->initialise();
  std::vector<dynamo::Vector> latticeSites(packptr->placeObjects(dynamo::Vector(0,0,0)));
  const size_t N = latticeSites.size();
  const double boxL = std::cbrt(N / density);
  Sim.primaryCellSize = dynamo::Vector(boxL, boxL, boxL);

  dynamo::shared_ptr<dynamo::ParticleProperty> D(new dynamo::ParticleProperty(N, dynamo::Property::Units::Length(), "D", 1.0));
  dynamo::shared_ptr<dynamo::ParticleProperty> M(new dynamo::ParticleProperty(N, dynamo::Property::Units::Mass(), "M", 1.0));
  Sim._properties.push(D);
  Sim._properties.push(M);

  Sim.dynamics = dynamo::shared_ptr<dynamo::Dynamics>(new dynamo::DynGravity(&Sim, dynamo::Vector(0, -1, 0)));
  Sim.BCs = dynamo::shared_ptr<dynamo::BoundaryCondition>(new dynamo::BCNone(&Sim));
  Sim.ptrScheduler = dynamo::shared_ptr<dynamo::SNeighbourList>(new dynamo::SNeighbourList(&Sim, new dynamo::FELBoundedPQ<dynamo::PELMinMax<3> >()));

  Sim.interactions.push_back(dynamo::shared_ptr<dynamo::Interaction>(new dynamo::IHardSphere(&Sim, "D", elasticity, new dynamo::IDPairRangeAll(), "Bulk")));
  Sim.addSpecies(dynamo::shared_ptr<dynamo::Species>(new dynamo::SpPoint(&Sim, new dynamo::IDRangeAll(&Sim), "M", "Bulk", 0)));

  Sim.locals.push_back(dynamo::shared_ptr<dynamo::Local>(new dynamo::LWall(&Sim, elasticity, "D", dynamo::Vector(1, 0, 0), dynamo::Vector(-0.5 * Sim.primaryCellSize[0] - 1, 0, 0), "XwallLow", new dynamo::IDRangeAll(&Sim))));
  Sim.locals.push_back(dynamo::shared_ptr<dynamo::Local>(new dynamo::LWall(&Sim, elasticity, "D", dynamo::Vector(-1, 0, 0), dynamo::Vector(0.5 * Sim.primaryCellSize[0] + 1, 0, 0), "XwallHigh", new dynamo::IDRangeAll(&Sim))));

  Sim.locals.push_back(dynamo::shared_ptr<dynamo::Local>(new dynamo::LWall(&Sim, elasticity, "D", dynamo::Vector(0, 0, 1), dynamo::Vector(0, 0, -0.5 * Sim.primaryCellSize[2] - 1), "ZwallLow", new dynamo::IDRangeAll(&Sim))));
  Sim.locals.push_back(dynamo::shared_ptr<dynamo::Local>(new dynamo::LWall(&Sim, elasticity, "D", dynamo::Vector(0, 0, -1), dynamo::Vector(0, 0, 0.5 * Sim.primaryCellSize[2] + 1), "ZwallHigh", new dynamo::IDRangeAll(&Sim))));

  Sim.locals.push_back(dynamo::shared_ptr<dynamo::Local>(new dynamo::LWall(&Sim, elasticity, "D", dynamo::Vector(0, 1, 0), dynamo::Vector(0, - 0.5 * Sim.primaryCellSize[1] - 1, 0), "GroundPlate", new dynamo::IDRangeAll(&Sim), wallkT)));
  
  for (size_t i(0); i < latticeSites.size(); ++i)
    {
      Sim.particles.push_back(dynamo::Particle(boxL * latticeSites[i], getRandVelVec(), Sim.particles.size()));
      D->getProperty(i) = (i < 100) ? 1 : 0.5;
      M->getProperty(i) = (i < 100) ? 1 : 0.5 * 0.5 * 0.5;
    }

  Sim.ensemble = dynamo::Ensemble::loadEnsemble(Sim);

  dynamo::InputPlugin(&Sim, "Rescaler").zeroMomentum();
  dynamo::InputPlugin(&Sim, "Rescaler").rescaleVels(1.0);

  BOOST_CHECK_EQUAL(Sim.N(), 1372);
  BOOST_CHECK_CLOSE(Sim.getNumberDensity() * Sim.units.unitVolume(), density, 0.000000001);
}
コード例 #2
0
void init(dynamo::Simulation& Sim, const double density)
{
  RNG.seed(std::random_device()());
  Sim.ranGenerator.seed(std::random_device()());

  Sim.dynamics = dynamo::shared_ptr<dynamo::Dynamics>(new dynamo::DynNewtonian(&Sim));
  Sim.BCs = dynamo::shared_ptr<dynamo::BoundaryCondition>(new dynamo::BCPeriodic(&Sim));
  Sim.ptrScheduler = dynamo::shared_ptr<dynamo::SNeighbourList>(new dynamo::SNeighbourList(&Sim, new DefaultSorter()));

  std::unique_ptr<dynamo::UCell> packptr(new dynamo::CUSC(std::array<long, 3>{{128, 128, 1}}, dynamo::Vector{1,1,1}, new dynamo::UParticle()));
  packptr->initialise();
  std::vector<dynamo::Vector> latticeSites(packptr->placeObjects(dynamo::Vector{0,0,0}));
  
  //As we're in 2D we need to take the square root
  double particleDiam = std::sqrt(density / latticeSites.size());
  Sim.units.setUnitLength(particleDiam);
  Sim.units.setUnitTime(particleDiam); 

  Sim.primaryCellSize = dynamo::Vector{1, 1, 4 * particleDiam};
  
  typedef std::pair<double,double> Step;
  std::vector<Step> steps;
  steps.push_back(Step{1.0,0.1});
  steps.push_back(Step{0.9,0.2});
  steps.push_back(Step{0.8,0.3});
  steps.push_back(Step{0.7,0.4});
  steps.push_back(Step{0.6,0.5});
  steps.push_back(Step{0.5,0.6});
  steps.push_back(Step{0.4,0.7});
  steps.push_back(Step{0.3,0.8});
  steps.push_back(Step{0.2,0.9});
  steps.push_back(Step{0.1,1.0});
  Sim.interactions.push_back(dynamo::shared_ptr<dynamo::Interaction>(new dynamo::IStepped(&Sim, dynamo::shared_ptr<dynamo::Potential>(new dynamo::PotentialStepped(steps, false)), new dynamo::IDPairRangeAll(), "Bulk", particleDiam, 1.0)));
    
  Sim.addSpecies(dynamo::shared_ptr<dynamo::Species>(new dynamo::SpPoint(&Sim, new dynamo::IDRangeAll(&Sim), 1.0, "Bulk", 0)));

  unsigned long nParticles = 0;
  Sim.particles.reserve(latticeSites.size());
  for (const dynamo::Vector & position : latticeSites)
    Sim.particles.push_back(dynamo::Particle(position, getRandVelVec() * Sim.units.unitVelocity(), nParticles++));

  for (auto& particle : Sim.particles)
    particle.getVelocity()[2] = 0;

  dynamo::InputPlugin(&Sim, "Rescaler").zeroMomentum();
  dynamo::InputPlugin(&Sim, "Rescaler").rescaleVels(2.0 / 3.0);
    
  Sim.ensemble = dynamo::Ensemble::loadEnsemble(Sim);

  BOOST_CHECK_EQUAL(Sim.N(), 128 * 128);
}
コード例 #3
0
void init(dynamo::Simulation& Sim, const double density)
{
  RNG.seed(std::random_device()());
  Sim.ranGenerator.seed(std::random_device()());

  double massFrac = 0.001, sizeRatio = 0.5;
  size_t Na=100;
  
  Sim.dynamics = dynamo::shared_ptr<dynamo::Dynamics>(new dynamo::DynNewtonian(&Sim));
  Sim.BCs = dynamo::shared_ptr<dynamo::BoundaryCondition>(new dynamo::BCPeriodic(&Sim));
  Sim.ptrScheduler = dynamo::shared_ptr<dynamo::SNeighbourList>(new dynamo::SNeighbourList(&Sim, new DefaultSorter()));

  std::unique_ptr<dynamo::UCell> packptr(new dynamo::CUFCC(std::array<long, 3>{{10, 10, 10}}, dynamo::Vector(1, 1, 1), new dynamo::UParticle()));
  packptr->initialise();
  std::vector<dynamo::Vector> latticeSites(packptr->placeObjects(dynamo::Vector(0,0,0)));
  Sim.primaryCellSize = dynamo::Vector(1,1,1);

  double simVol = 1.0;
  for (size_t iDim = 0; iDim < NDIM; ++iDim)
    simVol *= Sim.primaryCellSize[iDim];

  double particleDiam = std::cbrt(simVol * density / latticeSites.size());
  
  Sim.interactions.push_back(dynamo::shared_ptr<dynamo::Interaction>(new dynamo::IHardSphere(&Sim, particleDiam, new dynamo::IDPairRangeSingle(new dynamo::IDRangeRange(0, Na - 1)), "AAInt")));
  
  Sim.interactions.push_back(dynamo::shared_ptr<dynamo::Interaction>(new dynamo::IHardSphere(&Sim, ((1.0 + sizeRatio) / 2.0) * particleDiam, new dynamo::IDPairRangePair(new dynamo::IDRangeRange(0, Na - 1), new dynamo::IDRangeRange(Na, latticeSites.size() - 1)), "ABInt")));

  Sim.interactions.push_back(dynamo::shared_ptr<dynamo::Interaction>(new dynamo::IHardSphere(&Sim, sizeRatio * particleDiam, new dynamo::IDPairRangeAll(), "BBInt")));

  Sim.addSpecies(dynamo::shared_ptr<dynamo::Species>(new dynamo::SpPoint(&Sim, new dynamo::IDRangeRange(0, Na - 1), 1.0, "A", 0)));

  Sim.addSpecies(dynamo::shared_ptr<dynamo::Species>(new dynamo::SpPoint(&Sim, new dynamo::IDRangeRange(Na, latticeSites.size() - 1), massFrac, "B", 0)));

  Sim.units.setUnitLength(particleDiam);

  unsigned long nParticles = 0;
  Sim.particles.reserve(latticeSites.size());

  for (const dynamo::Vector & position : latticeSites)
    Sim.particles.push_back(dynamo::Particle(position, getRandVelVec() * Sim.units.unitVelocity(), nParticles++));

  Sim.ensemble = dynamo::Ensemble::loadEnsemble(Sim);

  dynamo::InputPlugin(&Sim, "Rescaler").zeroMomentum();
  dynamo::InputPlugin(&Sim, "Rescaler").rescaleVels(1.0);

  BOOST_CHECK_EQUAL(Sim.N(), 4000);
  //BOOST_CHECK_CLOSE(Sim.getNumberDensity() * Sim.units.unitVolume(), density, 0.000000001);
  //BOOST_CHECK_CLOSE(Sim.getPackingFraction(), Sim.getNumberDensity() * Sim.units.unitVolume() * M_PI / 6.0, 0.000000001);
}
コード例 #4
0
ファイル: squarewell_test.cpp プロジェクト: BigMacchia/DynamO
void init(dynamo::Simulation& Sim, double density = 0.5)
{
  RNG.seed(std::random_device()());
  Sim.ranGenerator.seed(std::random_device()());

  const double elasticity = 1.0;
  const double lambda = 1.5;
  const double welldepth = 1.0;

  Sim.dynamics = dynamo::shared_ptr<dynamo::Dynamics>(new dynamo::DynNewtonian(&Sim));
  Sim.BCs = dynamo::shared_ptr<dynamo::BoundaryCondition>(new dynamo::BCPeriodic(&Sim));
  Sim.ptrScheduler = dynamo::shared_ptr<dynamo::SNeighbourList>(new dynamo::SNeighbourList(&Sim, new DefaultSorter()));

  std::unique_ptr<dynamo::UCell> packptr(new dynamo::CUFCC(std::array<long, 3>{{7,7,7}}, dynamo::Vector(1,1,1), new dynamo::UParticle()));
  packptr->initialise();
  std::vector<dynamo::Vector> latticeSites(packptr->placeObjects(dynamo::Vector(0,0,0)));
  Sim.primaryCellSize = dynamo::Vector(1,1,1);

  double simVol = 1.0;
  for (size_t iDim = 0; iDim < NDIM; ++iDim)
    simVol *= Sim.primaryCellSize[iDim];

  double particleDiam = std::cbrt(simVol * density / latticeSites.size());

  Sim.interactions.push_back(dynamo::shared_ptr<dynamo::Interaction>(new dynamo::ISquareWell(&Sim, particleDiam, lambda, welldepth, elasticity, new dynamo::IDPairRangeAll(), "Bulk")));
  Sim.addSpecies(dynamo::shared_ptr<dynamo::Species>(new dynamo::SpPoint(&Sim, new dynamo::IDRangeAll(&Sim), 1.0, "Bulk", 0)));
  Sim.units.setUnitLength(particleDiam);
  Sim.units.setUnitTime(particleDiam); 

  unsigned long nParticles = 0;
  Sim.particles.reserve(latticeSites.size());
  for (const dynamo::Vector & position : latticeSites)
    Sim.particles.push_back(dynamo::Particle(position, getRandVelVec() * Sim.units.unitVelocity(), nParticles++));

  Sim.ensemble = dynamo::Ensemble::loadEnsemble(Sim);

  dynamo::InputPlugin(&Sim, "Rescaler").zeroMomentum();
  dynamo::InputPlugin(&Sim, "Rescaler").rescaleVels(1.0);

  BOOST_CHECK_EQUAL(Sim.N(), 1372);
  BOOST_CHECK_CLOSE(Sim.getNumberDensity() * Sim.units.unitVolume(), density, 0.000000001);
  BOOST_CHECK_CLOSE(Sim.getPackingFraction(), Sim.getNumberDensity() * Sim.units.unitVolume() * M_PI / 6.0, 0.000000001);
}
コード例 #5
0
ファイル: lines_test.cpp プロジェクト: toastedcrumpets/DynamO
void init(dynamo::Simulation& Sim, const double density)
{
  RNG.seed(std::random_device()());
  Sim.ranGenerator.seed(std::random_device()());

  const double elasticity = 1.0;
  const size_t N = 1000;
  Sim.dynamics = dynamo::shared_ptr<dynamo::Dynamics>(new dynamo::DynNewtonian(&Sim));
  Sim.BCs = dynamo::shared_ptr<dynamo::BoundaryCondition>(new dynamo::BCPeriodic(&Sim));
  Sim.ptrScheduler = dynamo::shared_ptr<dynamo::SNeighbourList>(new dynamo::SNeighbourList(&Sim, new DefaultSorter()));
  
  dynamo::CURandom packroutine(N, dynamo::Vector{1,1,1}, new dynamo::UParticle());
  packroutine.initialise();
  std::vector<dynamo::Vector> latticeSites(packroutine.placeObjects(dynamo::Vector{0,0,0}));
  Sim.BCs = dynamo::shared_ptr<dynamo::BoundaryCondition>(new dynamo::BCPeriodic(&Sim));
  double particleDiam = std::cbrt(density / N);
  Sim.interactions.push_back(dynamo::shared_ptr<dynamo::Interaction>(new dynamo::ILines(&Sim, particleDiam, elasticity, new dynamo::IDPairRangeAll(), "Bulk")));
  Sim.addSpecies(dynamo::shared_ptr<dynamo::Species>(new dynamo::SpSphericalTop(&Sim, new dynamo::IDRangeAll(&Sim), 1.0, "Bulk", 0, particleDiam * particleDiam / 12.0)));
  Sim.units.setUnitLength(particleDiam);

  unsigned long nParticles = 0;
  Sim.particles.reserve(latticeSites.size());
  for (const dynamo::Vector & position : latticeSites)
    Sim.particles.push_back(dynamo::Particle(position, getRandVelVec() * Sim.units.unitVelocity(), nParticles++));

  Sim.dynamics->initOrientations();

  Sim.ensemble = dynamo::Ensemble::loadEnsemble(Sim);

  dynamo::InputPlugin(&Sim, "Rescaler").zeroMomentum();
  dynamo::InputPlugin(&Sim, "Rescaler").rescaleVels(1.0);

  BOOST_CHECK_EQUAL(Sim.N(), N);
  BOOST_CHECK_CLOSE(Sim.getNumberDensity() * Sim.units.unitVolume(), density, 0.000000001);
  BOOST_CHECK_CLOSE(Sim.getPackingFraction(), 0, 0.000000001);
}