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);
}
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);
}
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);
}
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);
}
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);
}
