steepest_descent.cpp File Reference

#include "integrators/steepest_descent.hpp"
#include "Particle.hpp"
#include "ParticleRange.hpp"
#include "cell_system/CellStructure.hpp"
#include "communication.hpp"
#include "config/config.hpp"
#include "rotation.hpp"
#include "system/System.hpp"
#include <utils/Vector.hpp>
#include <utils/math/sqr.hpp>
#include <boost/mpi/collectives/all_reduce.hpp>
#include <boost/mpi/operations.hpp>
#include <algorithm>
#include <cmath>
#include <limits>
#include <stdexcept>

Include dependency graph for steepest_descent.cpp:

Go to the source code of this file.

Functions
bool	steepest_descent_step (const ParticleRange &particles)
	Steepest descent integrator.
void	register_integrator (SteepestDescentParameters const &obj)

Variables
static SteepestDescentParameters	params {0., 0., 0.}
	Currently active steepest descent instance.

Function Documentation

register_integrator()

void register_integrator

(

SteepestDescentParameters const &

obj

)

Definition at line 104 of file steepest_descent.cpp.

References params.

Referenced by ScriptInterface::Integrators::SteepestDescent::activate(), and ScriptInterface::Integrators::StokesianDynamics::activate().

steepest_descent_step()

bool steepest_descent_step

(

const ParticleRange &

particles

)

Steepest descent integrator.

Returns

whether the maximum force/torque encountered is below the user limit f_max.

Definition at line 46 of file steepest_descent.cpp.

References System::System::cell_structure, comm_cart, dq, f, SteepestDescentParameters::f_max, SteepestDescentParameters::gamma, System::get_system(), local_rotate_particle(), SteepestDescentParameters::max_displacement, params, Cells::RESORT_LOCAL, and Utils::sqr().

Referenced by integrator_step_1().

Variable Documentation

params

SteepestDescentParameters params {0., 0., 0.}

static

Currently active steepest descent instance.

Definition at line 44 of file steepest_descent.cpp.

Referenced by ScriptInterface::AutoParameters< Derived, Base >::add_parameters(), assign_charge_kernel(), assign_charges(), assign_forces(), assign_forces_kernel(), ScriptInterface::AutoParameters< Derived, Base >::AutoParameters(), P3MLocalMesh::calc_local_ca_mesh(), ScriptInterface::ObjectHandle::call_method(), ScriptInterface::ObjectHandle::construct(), ScriptInterface::Interactions::FeneBond::construct_bond(), ScriptInterface::Interactions::HarmonicBond::construct_bond(), ScriptInterface::Interactions::QuarticBond::construct_bond(), ScriptInterface::Interactions::BondedCoulomb::construct_bond(), ScriptInterface::Interactions::BondedCoulombSR::construct_bond(), ScriptInterface::Interactions::AngleHarmonicBond::construct_bond(), ScriptInterface::Interactions::AngleCosineBond::construct_bond(), ScriptInterface::Interactions::AngleCossquareBond::construct_bond(), ScriptInterface::Interactions::DihedralBond::construct_bond(), ScriptInterface::Interactions::TabulatedDistanceBond::construct_bond(), ScriptInterface::Interactions::TabulatedAngleBond::construct_bond(), ScriptInterface::Interactions::TabulatedDihedralBond::construct_bond(), ScriptInterface::Interactions::ThermalizedBond::construct_bond(), ScriptInterface::Interactions::RigidBond::construct_bond(), ScriptInterface::Interactions::IBMTriel::construct_bond(), ScriptInterface::Interactions::IBMVolCons::construct_bond(), ScriptInterface::Interactions::IBMTribend::construct_bond(), ScriptInterface::Interactions::OifGlobalForcesBond::construct_bond(), ScriptInterface::Interactions::OifLocalForcesBond::construct_bond(), ScriptInterface::ObjectHandle::deserialize(), ScriptInterface::CollisionDetection::CollisionDetection::do_call_method(), ScriptInterface::Interactions::NonBondedInteractions::do_call_method(), ScriptInterface::walberla::LatticeModel< Method, VTKHandle >::do_call_method(), ScriptInterface::CellSystem::CellSystem::do_call_method(), ScriptInterface::Coulomb::CoulombScafacos::do_call_method(), ScriptInterface::Galilei::Galilei::do_call_method(), ScriptInterface::Integrators::Integrator::do_call_method(), ScriptInterface::Interactions::BondedInteraction::do_call_method(), ScriptInterface::Interactions::IBMVolCons::do_call_method(), ScriptInterface::Interactions::BondedInteractions::do_call_method(), ScriptInterface::Interactions::InteractionPotentialInterface< CoreIA >::do_call_method(), ScriptInterface::Interactions::InteractionWCA::do_call_method(), ScriptInterface::Interactions::InteractionLJcos2::do_call_method(), ScriptInterface::Interactions::InteractionTabulated::do_call_method(), ScriptInterface::LeesEdwards::LeesEdwards::do_call_method(), ScriptInterface::Dipoles::DipolarScafacos::do_call_method(), ScriptInterface::Particles::ParticleHandle::do_call_method(), ScriptInterface::Particles::ParticleList::do_call_method(), ScriptInterface::Particles::ParticleSlice::do_call_method(), ScriptInterface::ReactionMethods::ReactionAlgorithm::do_call_method(), ScriptInterface::ReactionMethods::WidomInsertion::do_call_method(), ScriptInterface::Shapes::Shape::do_call_method(), ScriptInterface::System::SystemFacade::do_call_method(), ScriptInterface::Thermostat::Interface< CoreClass >::do_call_method(), ScriptInterface::Thermostat::Thermostat::do_call_method(), ScriptInterface::walberla::EKSpeciesNode::do_call_method(), ScriptInterface::walberla::EKSpeciesSlice::do_call_method(), ScriptInterface::walberla::LBFluid::do_call_method(), ScriptInterface::walberla::LBFluidNode::do_call_method(), ScriptInterface::walberla::LBFluidSlice::do_call_method(), ScriptInterface::ObjectHandle::do_construct(), ScriptInterface::Interactions::InteractionPotentialInterface< CoreIA >::do_construct(), ScriptInterface::Accumulators::MeanVarianceCalculator::do_construct(), ScriptInterface::Accumulators::TimeSeries::do_construct(), ScriptInterface::CellSystem::CellSystem::do_construct(), ScriptInterface::Coulomb::Container::do_construct(), ScriptInterface::Coulomb::CoulombMMM1D::do_construct(), ScriptInterface::Coulomb::CoulombMMM1DGpu::do_construct(), ScriptInterface::Coulomb::CoulombP3M::do_construct(), ScriptInterface::Coulomb::CoulombP3MGPU::do_construct(), ScriptInterface::Coulomb::CoulombScafacos::do_construct(), ScriptInterface::Coulomb::DebyeHueckel::do_construct(), ScriptInterface::Coulomb::ElectrostaticLayerCorrection::do_construct(), ScriptInterface::Coulomb::ICCStar::do_construct(), ScriptInterface::Coulomb::ReactionField::do_construct(), ScriptInterface::Galilei::ComFixed::do_construct(), ScriptInterface::Writer::H5md::do_construct(), ScriptInterface::Integrators::IntegratorHandle::do_construct(), ScriptInterface::Integrators::SteepestDescent::do_construct(), ScriptInterface::Integrators::StokesianDynamics::do_construct(), ScriptInterface::Integrators::VelocityVerletIsoNPT::do_construct(), ScriptInterface::Interactions::BondedInteraction::do_construct(), ScriptInterface::Interactions::NonBondedInteractionHandle::do_construct(), ScriptInterface::LeesEdwards::LeesEdwards::do_construct(), ScriptInterface::Dipoles::Container::do_construct(), ScriptInterface::Dipoles::DipolarBarnesHutGpu::do_construct(), ScriptInterface::Dipoles::DipolarDirectSum::do_construct(), ScriptInterface::Dipoles::DipolarDirectSumGpu::do_construct(), ScriptInterface::Dipoles::DipolarLayerCorrection::do_construct(), ScriptInterface::Dipoles::DipolarP3M::do_construct(), ScriptInterface::Dipoles::DipolarScafacos::do_construct(), ScriptInterface::Math::CylindricalTransformationParameters::do_construct(), ScriptInterface::ObjectList< ManagedType, BaseType >::do_construct(), ScriptInterface::ObjectMap< ManagedType, BaseType, KeyType >::do_construct(), ScriptInterface::Observables::CylindricalLBProfileObservable< CoreCylLBObs >::do_construct(), ScriptInterface::Observables::CylindricalPidProfileObservable< CoreObs >::do_construct(), ScriptInterface::Observables::LBProfileObservable< CoreLBObs >::do_construct(), ScriptInterface::Observables::PidObservable< CorePidObs >::do_construct(), ScriptInterface::Observables::PidProfileObservable< CoreObs >::do_construct(), ScriptInterface::Observables::RDF::do_construct(), ScriptInterface::Particles::ParticleHandle::do_construct(), ScriptInterface::Particles::ParticleSlice::do_construct(), ScriptInterface::ReactionMethods::ConstantpHEnsemble::do_construct(), ScriptInterface::ReactionMethods::ReactionEnsemble::do_construct(), ScriptInterface::ReactionMethods::SingleReaction::do_construct(), ScriptInterface::ReactionMethods::WidomInsertion::do_construct(), ScriptInterface::Shapes::HollowConicalFrustum::do_construct(), ScriptInterface::System::System::do_construct(), ScriptInterface::Thermostat::Interface< CoreClass >::do_construct(), ScriptInterface::Thermostat::Thermostat::do_construct(), ScriptInterface::walberla::EKContainer::do_construct(), ScriptInterface::walberla::EKSpecies::do_construct(), ScriptInterface::walberla::EKSpeciesNode::do_construct(), ScriptInterface::walberla::EKSpeciesSlice::do_construct(), ScriptInterface::walberla::LBFluid::do_construct(), ScriptInterface::walberla::LBFluidNode::do_construct(), ScriptInterface::walberla::LBFluidSlice::do_construct(), ScriptInterface::walberla::VTKHandleBase< Field >::do_construct(), dpd_pair_force(), ScriptInterface::Thermostat::Interface< CoreClass >::extend_parameters(), ScriptInterface::Thermostat::Langevin::extend_parameters(), ScriptInterface::Thermostat::Brownian::extend_parameters(), ScriptInterface::Thermostat::Interface< CoreClass >::extract_kT(), ScriptInterface::Thermostat::LBThermostat::extract_kT(), G_opt_dipolar(), G_opt_dipolar_self_energy(), ScriptInterface::Thermostat::Interface< CoreClass >::get_member_handle(), grid_influence_function(), grid_influence_function(), grid_influence_function_self_energy(), ScriptInterface::Integrators::Integrator::integrate(), ScriptInterface::Integrators::SteepestDescent::integrate(), ScriptInterface::Thermostat::Interface< CoreClass >::invalid_rng_state(), ScriptInterface::Thermostat::LBThermostat::invalid_rng_state(), ScriptInterface::walberla::EKSpecies::make_instance(), ScriptInterface::walberla::LBFluidCPU::make_instance(), ScriptInterface::walberla::LBFluidGPU::make_instance(), ScriptInterface::Interactions::InteractionWCA::make_new_instance(), ScriptInterface::Interactions::InteractionLJ::make_new_instance(), ScriptInterface::Interactions::InteractionLJGen::make_new_instance(), ScriptInterface::Interactions::InteractionLJcos::make_new_instance(), ScriptInterface::Interactions::InteractionLJcos2::make_new_instance(), ScriptInterface::Interactions::InteractionHertzian::make_new_instance(), ScriptInterface::Interactions::InteractionGaussian::make_new_instance(), ScriptInterface::Interactions::InteractionBMHTF::make_new_instance(), 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