| ▼ doc | |
| doxygen | |
| ▼ src | |
| ► config | |
| ► include | |
| ► config | |
| config.hpp | This file contains the defaults for ESPResSo |
| ► core | |
| ► accumulators | |
| AccumulatorBase.hpp | |
| AutoUpdateAccumulators.cpp | |
| AutoUpdateAccumulators.hpp | |
| ContactTimes.cpp | |
| ContactTimes.hpp | |
| Correlator.cpp | |
| Correlator.hpp | This module computes correlations (and other two time averages) on the fly and from files |
| MeanVarianceCalculator.cpp | |
| MeanVarianceCalculator.hpp | |
| TimeSeries.cpp | |
| TimeSeries.hpp | |
| ► actor | |
| optional.hpp | |
| registration.hpp | |
| traits.hpp | |
| visit_try_catch.hpp | |
| visitors.hpp | |
| ► algorithm | |
| link_cell.hpp | |
| periodic_fold.hpp | |
| ► analysis | |
| statistics.cpp | Statistical tools to analyze simulations |
| statistics.hpp | Statistical tools to analyze simulations |
| statistics_chain.cpp | Implementation of statistics_chain.hpp |
| statistics_chain.hpp | This file contains the code for statistics on chains |
| ► bond_breakage | |
| actions.hpp | |
| bond_breakage.cpp | |
| bond_breakage.hpp | |
| ► bonded_interactions | |
| angle_common.hpp | Common code for functions calculating angle forces |
| angle_cosine.hpp | Routines to calculate the angle energy or/and and force for a particle triple using the potential described in Cosine potential |
| angle_cossquare.hpp | Routines to calculate the angle energy or/and and force for a particle triple using the potential described in Harmonic cosine potential |
| angle_harmonic.hpp | Routines to calculate the angle energy or/and and force for a particle triple using the potential described in Harmonic angle potential |
| bonded_coulomb.hpp | Routines to calculate the bonded Coulomb potential between particle pairs |
| bonded_coulomb_sr.hpp | Routines to calculate the short-range part of the bonded Coulomb potential between particle pairs |
| bonded_interaction_data.cpp | |
| bonded_interaction_data.hpp | Data structures for bonded interactions |
| bonded_tab.hpp | Routines to calculate the energy and/or force for particle bonds, angles and dihedrals via interpolation of lookup tables |
| dihedral.hpp | Routines to calculate the dihedral energy or/and force for a particle quadruple |
| fene.hpp | Routines to calculate the FENE potential between particle pairs |
| harmonic.hpp | Routines to calculate the harmonic bond potential between particle pairs |
| quartic.hpp | Routines to calculate the quartic potential between particle pairs |
| rigid_bond.hpp | Definition of the rigid bond data type for the Rattle algorithm |
| thermalized_bond.hpp | Routines to thermalize the center of mass and distance of a particle pair |
| thermalized_bond_kernel.hpp | |
| ► cell_system | |
| AtomDecomposition.cpp | |
| AtomDecomposition.hpp | |
| Cell.hpp | |
| CellStructure.cpp | |
| CellStructure.hpp | |
| CellStructureType.hpp | |
| HybridDecomposition.cpp | |
| HybridDecomposition.hpp | |
| ParticleDecomposition.hpp | |
| RegularDecomposition.cpp | |
| RegularDecomposition.hpp | |
| ► cluster_analysis | |
| Cluster.cpp | |
| Cluster.hpp | |
| ClusterStructure.cpp | |
| ClusterStructure.hpp | |
| ► collision_detection | |
| ActiveProtocol.hpp | |
| BindAtPointOfCollision.cpp | |
| BindAtPointOfCollision.hpp | |
| BindCenters.cpp | |
| BindCenters.hpp | |
| CollisionDetection.cpp | |
| CollisionDetection.hpp | |
| CollisionPair.hpp | |
| common.hpp | |
| GlueToSurface.cpp | |
| GlueToSurface.hpp | |
| Off.hpp | |
| utils.hpp | |
| ► constraints | |
| Constraint.hpp | |
| Constraints.cpp | |
| Constraints.hpp | |
| ExternalField.hpp | |
| ExternalPotential.hpp | |
| HomogeneousMagneticField.cpp | |
| HomogeneousMagneticField.hpp | |
| ShapeBasedConstraint.cpp | |
| ShapeBasedConstraint.hpp | |
| ► cuda | |
| common_cuda.cu | |
| CudaHostAllocator.cu | |
| CudaHostAllocator.hpp | |
| init.cpp | |
| init.hpp | |
| init_cuda.cu | |
| utils.cuh | |
| utils.hpp | |
| ► ek | |
| EKNone.hpp | |
| EKReactions.hpp | |
| EKWalberla.cpp | |
| EKWalberla.hpp | |
| Implementation.hpp | |
| Solver.cpp | |
| Solver.hpp | |
| utils.hpp | |
| ► electrostatics | |
| actor.hpp | |
| coulomb.cpp | |
| coulomb.hpp | |
| coulomb_inline.hpp | |
| debye_hueckel.hpp | Calculate the Debye-Hückel energy and force for a particle pair |
| elc.cpp | |
| elc.hpp | ELC algorithm for long-range Coulomb interactions |
| icc.cpp | Functions to compute the electric field acting on the induced charges, excluding forces other than the electrostatic ones |
| icc.hpp | ICC is a method that allows to take into account the influence of arbitrarily shaped dielectric interfaces |
| mmm-modpsi.cpp | |
| mmm1d.cpp | |
| mmm1d.hpp | MMM1D algorithm for long-range Coulomb interactions on the CPU |
| p3m.cpp | The corresponding header file is p3m.hpp |
| p3m.hpp | P3M algorithm for long-range Coulomb interaction |
| p3m.impl.hpp | |
| p3m_gpu_cuda.cu | P3M electrostatics on GPU |
| p3m_gpu_cuda.cuh | |
| p3m_gpu_error.hpp | P3M electrostatics on GPU |
| p3m_gpu_error_cuda.cu | P3M electrostatics on GPU |
| reaction_field.hpp | Calculate the Reaction Field energy and force for a particle pair [33], [45] |
| scafacos.hpp | |
| scafacos_impl.cpp | |
| scafacos_impl.hpp | |
| solver.hpp | |
| specfunc.cpp | Implementation of specfunc.hpp |
| specfunc.hpp | This file contains implementations for some special functions which are needed by the MMM family of algorithms |
| ► error_handling | |
| RuntimeError.cpp | |
| RuntimeError.hpp | |
| RuntimeErrorCollector.cpp | |
| RuntimeErrorCollector.hpp | |
| RuntimeErrorStream.cpp | |
| RuntimeErrorStream.hpp | |
| ► fft | |
| fft.cpp | Routines, row decomposition, data structures and communication for the 3D-FFT |
| fft.hpp | Routines, row decomposition, data structures and communication for the 3D-FFT |
| vector.hpp | |
| ► field_coupling | |
| ► couplings | |
| Charge.hpp | |
| Direct.hpp | |
| Mass.hpp | |
| Scaled.hpp | |
| Viscous.hpp | |
| ► detail | |
| Base.hpp | |
| BindCoupling.hpp | |
| ► fields | |
| AffineMap.hpp | |
| Constant.hpp | |
| Interpolated.hpp | |
| jacobian_type.hpp | |
| PlaneWave.hpp | |
| ForceField.hpp | |
| PotentialField.hpp | |
| ► galilei | |
| ComFixed.hpp | |
| Galilei.cpp | |
| Galilei.hpp | |
| ► immersed_boundary | |
| ibm_common.cpp | |
| ibm_common.hpp | |
| ibm_tribend.cpp | |
| ibm_tribend.hpp | |
| ibm_triel.cpp | |
| ibm_triel.hpp | |
| ibm_volcons.hpp | |
| ImmersedBoundaries.cpp | |
| ImmersedBoundaries.hpp | |
| ► integrators | |
| brownian_inline.hpp | |
| Propagation.hpp | |
| steepest_descent.cpp | |
| steepest_descent.hpp | |
| stokesian_dynamics_inline.hpp | |
| velocity_verlet_inline.hpp | |
| velocity_verlet_npt.cpp | |
| velocity_verlet_npt.hpp | |
| ► io | |
| ► mpiio | |
| mpiio.cpp | Concerning the file layouts |
| mpiio.hpp | Implements binary output using MPI-IO |
| ► writer | |
| h5md_core.cpp | |
| h5md_core.hpp | |
| h5md_dataset.hpp | |
| h5md_specification.cpp | |
| h5md_specification.hpp | |
| hdf5_patches.hpp | |
| ► lb | |
| Implementation.hpp | |
| LBNone.hpp | |
| LBWalberla.cpp | |
| LBWalberla.hpp | |
| particle_coupling.cpp | |
| particle_coupling.hpp | |
| Solver.cpp | |
| Solver.hpp | |
| utils.hpp | |
| ► lees_edwards | |
| lees_edwards.hpp | |
| LeesEdwardsBC.hpp | |
| protocols.hpp | |
| ► magnetostatics | |
| actor.hpp | |
| dipolar_direct_sum.cpp | |
| dipolar_direct_sum.hpp | |
| dipolar_direct_sum_gpu.cpp | |
| dipolar_direct_sum_gpu.hpp | |
| dipolar_direct_sum_gpu_cuda.cu | |
| dipolar_direct_sum_gpu_cuda.cuh | |
| dipoles.cpp | |
| dipoles.hpp | |
| dipoles_inline.hpp | |
| dlc.cpp | |
| dlc.hpp | |
| dp3m.cpp | P3M algorithm for long-range magnetic dipole-dipole interaction |
| dp3m.hpp | P3M algorithm for long-range magnetic dipole-dipole interaction |
| dp3m.impl.hpp | |
| scafacos.hpp | |
| scafacos_impl.cpp | |
| scafacos_impl.hpp | |
| solver.hpp | |
| ► nonbonded_interactions | |
| bmhtf-nacl.cpp | Implementation of bmhtf-nacl.hpp |
| bmhtf-nacl.hpp | Routines to calculate the Born-Meyer-Huggins-Tosi-Fumi potential between particle pairs |
| buckingham.cpp | Implementation of buckingham.hpp |
| buckingham.hpp | Routines to calculate the Buckingham potential between particle pairs |
| gaussian.cpp | Implementation of gaussian.hpp |
| gaussian.hpp | Routines to calculate the Gaussian potential between particle pairs |
| gay_berne.cpp | Implementation of gay_berne.hpp |
| gay_berne.hpp | Routines to calculate the Gay-Berne potential between particle pairs |
| hat.cpp | Implementation of hat.hpp |
| hat.hpp | Routines to calculate the hat potential between particle pairs |
| hertzian.cpp | Implementation of hertzian.hpp |
| hertzian.hpp | Routines to calculate the Hertzian potential between particle pairs |
| lj.cpp | Implementation of lj.hpp |
| lj.hpp | Routines to calculate the Lennard-Jones potential between particle pairs |
| ljcos.cpp | Implementation of ljcos.hpp |
| ljcos.hpp | Routines to calculate the Lennard-Jones+cosine potential between particle pairs |
| ljcos2.cpp | Implementation of ljcos2.hpp |
| ljcos2.hpp | Routines to calculate the Lennard-Jones with cosine tail potential between particle pairs |
| ljgen.cpp | Implementation of ljgen.hpp |
| ljgen.hpp | Routines to calculate the generalized Lennard-Jones potential between particle pairs |
| morse.cpp | Implementation of morse.hpp |
| morse.hpp | Routines to calculate the Morse potential between particle pairs |
| nonbonded_interaction_data.cpp | Implementation of nonbonded_interaction_data.hpp |
| nonbonded_interaction_data.hpp | Various procedures concerning interactions between particles |
| nonbonded_tab.hpp | Routines to calculate the energy and/or force for particle pairs via interpolation of lookup tables |
| smooth_step.cpp | Implementation of smooth_step.hpp |
| smooth_step.hpp | Routines to calculate the smooth step potential between particle pairs |
| soft_sphere.cpp | Implementation of soft_sphere.hpp |
| soft_sphere.hpp | Routines to calculate the soft-sphere potential between particle pairs |
| thole.hpp | Routines to calculate the Thole damping potential between particle pairs |
| VerletCriterion.hpp | |
| wca.cpp | Implementation of wca.hpp |
| wca.hpp | Routines to calculate the Weeks-Chandler-Andersen potential between particle pairs |
| ► object-in-fluid | |
| oif_global_forces.cpp | |
| oif_global_forces.hpp | Routines to calculate the OIF global forces for a particle triple (triangle from mesh) |
| oif_global_forces_params.hpp | |
| oif_local_forces.hpp | Routines to calculate the OIF local forces for a particle quadruple (two neighboring triangles with common edge) |
| ► observables | |
| BondAngles.hpp | |
| BondDihedrals.hpp | |
| ComPosition.hpp | |
| ComVelocity.hpp | |
| CosPersistenceAngles.hpp | |
| CylindricalDensityProfile.hpp | |
| CylindricalFluxDensityProfile.hpp | |
| CylindricalLBFluxDensityProfileAtParticlePositions.cpp | |
| CylindricalLBFluxDensityProfileAtParticlePositions.hpp | |
| CylindricalLBProfileObservable.hpp | |
| CylindricalLBVelocityProfile.cpp | |
| CylindricalLBVelocityProfile.hpp | |
| CylindricalLBVelocityProfileAtParticlePositions.cpp | |
| CylindricalLBVelocityProfileAtParticlePositions.hpp | |
| CylindricalPidProfileObservable.hpp | |
| CylindricalProfileObservable.hpp | |
| CylindricalVelocityProfile.hpp | |
| DensityProfile.hpp | |
| DipoleMoment.hpp | |
| DPDStress.hpp | |
| EnergyObservable.hpp | |
| fetch_particles.hpp | |
| FluxDensityProfile.hpp | |
| ForceDensityProfile.hpp | |
| LBFluidPressureTensor.hpp | |
| LBProfileObservable.hpp | |
| LBVelocityProfile.cpp | |
| LBVelocityProfile.hpp | |
| MagneticDipoleMoment.hpp | |
| Observable.hpp | |
| PairwiseDistances.hpp | |
| ParticleAngularVelocities.hpp | |
| ParticleBodyAngularVelocities.hpp | |
| ParticleBodyVelocities.hpp | |
| ParticleDipoleFields.hpp | |
| ParticleDirectors.hpp | |
| ParticleDistances.hpp | |
| ParticleForces.hpp | |
| ParticlePositions.hpp | |
| ParticleTraits.hpp | |
| ParticleVelocities.hpp | |
| PidObservable.cpp | |
| PidObservable.hpp | |
| PidPairwiseDistancesObservable.hpp | |
| PidProfileObservable.hpp | |
| PressureObservable.hpp | |
| PressureTensor.hpp | |
| ProfileObservable.hpp | |
| RDF.cpp | |
| RDF.hpp | |
| TotalForce.hpp | |
| utils_histogram.hpp | |
| ► p3m | |
| common.cpp | |
| common.hpp | Common functions for dipolar and charge P3M |
| data_struct.hpp | |
| FFTBackendLegacy.cpp | |
| FFTBackendLegacy.hpp | |
| FFTBuffersLegacy.cpp | |
| FFTBuffersLegacy.hpp | |
| field_layout_helpers.hpp | |
| for_each_3d.hpp | |
| influence_function.hpp | |
| influence_function_dipolar.hpp | |
| interpolation.hpp | |
| math.hpp | |
| P3MFFT.hpp | |
| packing.hpp | |
| send_mesh.cpp | |
| send_mesh.hpp | |
| TuningAlgorithm.cpp | |
| TuningAlgorithm.hpp | |
| TuningLogger.hpp | |
| ► pair_criteria | |
| BondCriterion.hpp | |
| DistanceCriterion.hpp | |
| EnergyCriterion.hpp | |
| PairCriterion.hpp | |
| ► reaction_methods | |
| ConstantpHEnsemble.hpp | |
| ReactionAlgorithm.cpp | |
| ReactionAlgorithm.hpp | |
| ReactionEnsemble.hpp | |
| SingleReaction.hpp | |
| utils.cpp | |
| utils.hpp | |
| WidomInsertion.hpp | |
| ► scafacos | |
| ScafacosContext.cpp | |
| ScafacosContext.hpp | ScafacosContext implements the interface of the ScaFaCoS bridge |
| ScafacosContextBase.cpp | |
| ScafacosContextBase.hpp | ScafacosContextBase provides the public interface of the ScaFaCoS bridge |
| ► stokesian_dynamics | |
| sd_interface.cpp | |
| sd_interface.hpp | See [17] for the Stokesian dynamics method used here |
| ► system | |
| GpuParticleData.cpp | |
| GpuParticleData.hpp | |
| GpuParticleData_cuda.cu | CUDA kernels to convert the particles AoS to a SoA on the device |
| Leaf.hpp | |
| ResourceCleanup.hpp | |
| System.cpp | |
| System.hpp | |
| System.impl.hpp | |
| ► thermostats | |
| brownian_inline.hpp | |
| langevin_inline.hpp | |
| npt_inline.hpp | |
| ► virtual_sites | |
| lb_tracers.cpp | |
| lb_tracers.hpp | |
| relative.cpp | |
| relative.hpp | |
| bond_error.cpp | |
| bond_error.hpp | |
| BondList.hpp | |
| bonds.cpp | |
| bonds.hpp | |
| BoxGeometry.hpp | |
| CellParticleIterator.hpp | |
| cells.cpp | This file contains functions for the cell system |
| cells.hpp | This file contains everything related to the global cell structure / cell system |
| communication.cpp | |
| communication.hpp | This file contains the asynchronous MPI communication |
| dpd.cpp | Implementation of dpd.hpp |
| dpd.hpp | Routines to use DPD as thermostat or pair force [41] |
| energy.cpp | |
| energy_inline.hpp | Energy calculation |
| errorhandling.cpp | Implementation of errorhandling.hpp |
| errorhandling.hpp | This file contains the errorhandling code for severe errors, like a broken bond or illegal parameter combinations |
| exclusions.cpp | |
| exclusions.hpp | |
| forces.cpp | Force calculation |
| forces.hpp | Force calculation |
| forces_inline.hpp | Force calculation |
| ghosts.cpp | Ghost particles and particle exchange |
| ghosts.hpp | Ghost particles and particle exchange |
| integrate.cpp | Molecular dynamics integrator |
| integrate.hpp | Molecular dynamics integrator |
| LocalBox.hpp | |
| MpiCallbacks.hpp | Communication::MpiCallbacks manages MPI communication using a visitor pattern |
| npt.cpp | |
| npt.hpp | Exports for the NpT code |
| Observable_stat.cpp | |
| Observable_stat.hpp | |
| PartCfg.cpp | |
| PartCfg.hpp | |
| Particle.hpp | |
| particle_node.cpp | |
| particle_node.hpp | Particles creation and deletion |
| ParticleIterator.hpp | |
| ParticleList.hpp | |
| ParticlePropertyIterator.hpp | |
| ParticleRange.hpp | |
| polymer.cpp | This file contains everything needed to create a start-up configuration of (possibly charged) polymer chains with counterions and salt molecules, assigning velocities to the particles and cross-linking the polymers if necessary |
| polymer.hpp | This file contains everything needed to create a start-up configuration of polymer chains which may respect already existing particles and/or constraints |
| pressure.cpp | |
| pressure_inline.hpp | |
| propagation.cpp | |
| propagation.hpp | |
| PropagationMode.hpp | |
| PropagationPredicate.hpp | |
| random.hpp | Random number generation using Philox |
| rattle.cpp | |
| rattle.hpp | RATTLE algorithm ([4]) |
| rotation.cpp | Molecular dynamics integrator for rotational motion |
| rotation.hpp | This file contains all subroutines required to process rotational motion |
| short_range_loop.hpp | |
| signalhandling.hpp | |
| TabulatedPotential.cpp | |
| TabulatedPotential.hpp | |
| thermostat.cpp | Implementation of thermostat.hpp |
| thermostat.hpp | Implementation in thermostat.cpp |
| tuning.cpp | |
| tuning.hpp | |
| virtual_sites.cpp | |
| virtual_sites.hpp | |
| ► instrumentation | |
| ► include | |
| ► instrumentation | |
| fe_trap.hpp | |
| ► src | |
| fe_trap.cpp | |
| ► particle_observables | |
| ► include | |
| ► particle_observables | |
| algorithms.hpp | Generic algorithms for the calculation of particle property derived observables |
| observable.hpp | |
| properties.hpp | This file contains interface functionality for extracting particle properties via a particle traits class |
| ► python | |
| ► espressomd | |
| dummy.cpp | |
| ► scafacos | |
| ► include | |
| ► scafacos | |
| Coulomb.hpp | |
| Dipoles.hpp | |
| Scafacos.hpp | |
| ► src | |
| Coulomb.cpp | |
| Dipoles.cpp | |
| Scafacos.cpp | |
| utils.hpp | |
| ► script_interface | |
| ► accumulators | |
| AccumulatorBase.hpp | |
| AutoUpdateAccumulators.hpp | |
| ContactTimes.hpp | |
| Correlator.hpp | |
| initialize.cpp | |
| initialize.hpp | |
| MeanVarianceCalculator.hpp | |
| TimeSeries.hpp | |
| ► analysis | |
| Analysis.cpp | |
| Analysis.hpp | |
| initialize.cpp | |
| initialize.hpp | |
| ObservableStat.cpp | |
| ObservableStat.hpp | |
| ► auto_parameters | |
| AutoParameter.hpp | |
| AutoParameters.hpp | |
| ► bond_breakage | |
| BreakageSpec.hpp | |
| BreakageSpecs.hpp | |
| initialize.cpp | |
| initialize.hpp | |
| ► cell_system | |
| CellSystem.cpp | |
| CellSystem.hpp | |
| initialize.cpp | |
| initialize.hpp | |
| ► cluster_analysis | |
| Cluster.hpp | |
| ClusterStructure.hpp | |
| initialize.cpp | |
| initialize.hpp | |
| ► code_info | |
| CodeInfo.cpp | |
| CodeInfo.hpp | |
| CodeVersion.cpp | |
| CodeVersion.hpp | |
| initialize.cpp | |
| initialize.hpp | |
| ► collision_detection | |
| BindAtPointOfCollision.hpp | |
| BindCenters.hpp | |
| CollisionDetection.hpp | |
| GlueToSurface.hpp | |
| initialize.cpp | |
| initialize.hpp | |
| Off.hpp | |
| Protocol.hpp | |
| ► constraints | |
| Constraint.hpp | |
| Constraints.hpp | |
| couplings.hpp | ScriptInterface implementations for the various couplings provided |
| ExternalField.hpp | |
| ExternalPotential.hpp | |
| fields.hpp | |
| HomogeneousMagneticField.hpp | |
| initialize.cpp | |
| initialize.hpp | |
| ShapeBasedConstraint.hpp | |
| ► electrostatics | |
| Actor.hpp | |
| Actor.impl.hpp | |
| Container.hpp | |
| CoulombMMM1D.hpp | |
| CoulombP3M.hpp | |
| CoulombScafacos.hpp | |
| DebyeHueckel.hpp | |
| ElectrostaticLayerCorrection.hpp | |
| ICCStar.hpp | |
| initialize.cpp | |
| initialize.hpp | |
| ReactionField.hpp | |
| ► galilei | |
| ComFixed.hpp | |
| Galilei.hpp | |
| initialize.cpp | |
| initialize.hpp | |
| ► h5md | |
| h5md.cpp | |
| h5md.hpp | |
| initialize.cpp | |
| initialize.hpp | |
| ► integrators | |
| BrownianDynamics.cpp | |
| BrownianDynamics.hpp | |
| initialize.cpp | |
| initialize.hpp | |
| Integrator.cpp | |
| Integrator.hpp | |
| IntegratorHandle.cpp | |
| IntegratorHandle.hpp | |
| SteepestDescent.cpp | |
| SteepestDescent.hpp | |
| StokesianDynamics.cpp | |
| StokesianDynamics.hpp | |
| VelocityVerlet.cpp | |
| VelocityVerlet.hpp | |
| VelocityVerletIsoNPT.cpp | |
| VelocityVerletIsoNPT.hpp | |
| ► interactions | |
| BondedInteraction.hpp | The ScriptInterface counterparts of the bonded interactions parameters structs from the core are defined here |
| BondedInteractions.hpp | |
| initialize.cpp | |
| initialize.hpp | |
| NonBondedInteraction.hpp | The ScriptInterface counterparts of the non-bonded interactions parameters structs from the core are defined here |
| NonBondedInteractions.hpp | |
| ► lees_edwards | |
| initialize.cpp | |
| initialize.hpp | |
| LeesEdwards.hpp | |
| LinearShear.hpp | |
| Off.hpp | |
| OscillatoryShear.hpp | |
| Protocol.hpp | |
| ► magnetostatics | |
| Actor.hpp | |
| Actor.impl.hpp | |
| Container.hpp | |
| DipolarDirectSum.hpp | |
| DipolarDirectSumGpu.hpp | |
| DipolarLayerCorrection.hpp | |
| DipolarP3M.hpp | |
| DipolarScafacos.hpp | |
| initialize.cpp | |
| initialize.hpp | |
| ► math | |
| CylindricalTransformationParameters.hpp | |
| initialize.cpp | |
| initialize.hpp | |
| ► mpiio | |
| initialize.cpp | |
| initialize.hpp | |
| mpiio.hpp | |
| ► observables | |
| CylindricalLBProfileObservable.hpp | |
| CylindricalPidProfileObservable.hpp | |
| initialize.cpp | |
| initialize.hpp | |
| LBProfileObservable.hpp | |
| Observable.hpp | |
| PairwiseDistances.hpp | |
| ParamlessObservable.hpp | |
| PidObservable.hpp | |
| PidProfileObservable.hpp | |
| ProfileObservable.hpp | |
| RDF.hpp | |
| ► pair_criteria | |
| BondCriterion.hpp | |
| DistanceCriterion.hpp | |
| EnergyCriterion.hpp | |
| initialize.cpp | |
| initialize.hpp | |
| PairCriterion.hpp | |
| ► particle_data | |
| initialize.cpp | |
| initialize.hpp | |
| ParticleHandle.cpp | |
| ParticleHandle.hpp | |
| ParticleList.cpp | |
| ParticleList.hpp | |
| ParticleSlice.cpp | |
| ParticleSlice.hpp | |
| Polymer.cpp | |
| Polymer.hpp | |
| ► profiler | |
| Caliper.hpp | |
| initialize.cpp | |
| initialize.hpp | |
| ► reaction_methods | |
| ConstantpHEnsemble.hpp | |
| initialize.cpp | |
| initialize.hpp | |
| ReactionAlgorithm.cpp | |
| ReactionAlgorithm.hpp | |
| ReactionEnsemble.hpp | |
| SingleReaction.hpp | |
| WidomInsertion.hpp | |
| ► scafacos | |
| scafacos.cpp | |
| scafacos.hpp | |
| ► shapes | |
| Cylinder.hpp | |
| Ellipsoid.hpp | |
| HollowConicalFrustum.hpp | |
| initialize.cpp | |
| initialize.hpp | |
| NoWhere.hpp | |
| Rhomboid.hpp | |
| Shape.hpp | |
| SimplePore.hpp | |
| Slitpore.hpp | |
| Sphere.hpp | |
| SpheroCylinder.hpp | |
| Torus.hpp | |
| Union.hpp | |
| Wall.hpp | |
| ► system | |
| CudaInitHandle.cpp | |
| CudaInitHandle.hpp | |
| initialize.cpp | |
| initialize.hpp | |
| Leaf.hpp | |
| System.cpp | |
| System.hpp | |
| ► thermostat | |
| initialize.cpp | |
| initialize.hpp | |
| thermostat.hpp | |
| ► walberla | |
| EKContainer.hpp | |
| EKFFT.hpp | |
| EKNone.hpp | |
| EKPoissonSolver.hpp | |
| EKReactant.hpp | |
| EKReaction.hpp | |
| EKReactions.hpp | |
| EKSpecies.cpp | |
| EKSpecies.hpp | |
| EKSpeciesNode.cpp | |
| EKSpeciesNode.hpp | |
| EKSpeciesSlice.cpp | |
| EKSpeciesSlice.hpp | |
| EKWalberlaNodeState.hpp | |
| initialize.cpp | |
| initialize.hpp | |
| LatticeIndices.hpp | |
| LatticeModel.hpp | |
| LatticeSlice.hpp | |
| LatticeSlice.impl.hpp | |
| LatticeWalberla.hpp | |
| LBFluid.cpp | |
| LBFluid.hpp | |
| LBFluidNode.cpp | |
| LBFluidNode.hpp | |
| LBFluidSlice.cpp | |
| LBFluidSlice.hpp | |
| LBWalberlaNodeState.hpp | |
| VTKHandle.hpp | |
| WalberlaCheckpoint.hpp | |
| communication.hpp | |
| Context.hpp | ScriptInterface::Context decorates ScriptInterface::ObjectHandle objects with a context: a creation policy (local object, local object with remote copies) and a communication facility to synchronize an object on the head node with remote copies (serialization, callback mechanism) |
| ContextManager.cpp | |
| ContextManager.hpp | ScriptInterface::ContextManager manages object creation with policies CreationPolicy |
| Exception.hpp | |
| get_value.hpp | |
| GlobalContext.cpp | Infrastructure to synchronize objects created on the head node with their corresponding remote copies |
| GlobalContext.hpp | Infrastructure to synchronize objects created on the head node with their corresponding remote copies |
| initialize.cpp | |
| initialize.hpp | |
| LocalContext.hpp | |
| None.hpp | |
| ObjectContainer.hpp | |
| ObjectHandle.cpp | |
| ObjectHandle.hpp | |
| ObjectList.hpp | |
| ObjectMap.hpp | |
| ObjectState.hpp | |
| packed_variant.hpp | |
| ParallelExceptionHandler.cpp | |
| ParallelExceptionHandler.hpp | |
| ScriptInterface.hpp | |
| Variant.hpp | |
| ► shapes | |
| ► include | |
| ► shapes | |
| Cylinder.hpp | |
| Ellipsoid.hpp | |
| HollowConicalFrustum.hpp | |
| NoWhere.hpp | |
| Rhomboid.hpp | |
| Shape.hpp | |
| SimplePore.hpp | |
| Slitpore.hpp | |
| Sphere.hpp | |
| SpheroCylinder.hpp | |
| Torus.hpp | |
| Union.hpp | |
| Wall.hpp | |
| ► src | |
| Cylinder.cpp | |
| Ellipsoid.cpp | |
| HollowConicalFrustum.cpp | |
| Rhomboid.cpp | |
| Shape.cpp | |
| SimplePore.cpp | |
| Slitpore.cpp | |
| Sphere.cpp | |
| SpheroCylinder.cpp | |
| Torus.cpp | |
| Wall.cpp | |
| ► utils | |
| ► include | |
| ► utils | |
| ► interpolation | |
| ► detail | |
| ll_and_dist.hpp | |
| bspline_3d.hpp | |
| bspline_3d_gradient.hpp | |
| ► math | |
| AS_erfc_part.hpp | |
| bspline.hpp | |
| coordinate_transformation.hpp | Convert coordinates from the Cartesian system to the cylindrical system |
| cylindrical_transformation_parameters.hpp | |
| gaussian.hpp | |
| int_pow.hpp | |
| make_lin_space.hpp | |
| matrix_vector_product.hpp | |
| orthonormal_vec.hpp | |
| permute_ifield.hpp | |
| quaternion.hpp | Quaternion algebra |
| sgn.hpp | |
| sqr.hpp | |
| tensor_product.hpp | |
| triangle_functions.hpp | |
| vec_rotate.hpp | |
| ► mpi | |
| ► detail | |
| size_and_offset.hpp | |
| all_compare.hpp | |
| cart_comm.hpp | |
| gather_buffer.hpp | |
| gatherv.hpp | |
| iall_gatherv.hpp | |
| reduce_optional.hpp | |
| scatter_buffer.hpp | |
| sendrecv.hpp | |
| ► serialization | |
| array.hpp | |
| memcpy_archive.hpp | |
| multi_array.hpp | |
| optional.hpp | |
| pack.hpp | |
| unordered_map.hpp | |
| ► statistics | |
| RunningAverage.hpp | |
| Accumulator.hpp | |
| Array.hpp | Array implementation with CUDA support |
| Bag.hpp | |
| Cache.hpp | |
| cartesian_product.hpp | |
| compact_vector.hpp | |
| contains.hpp | |
| Counter.hpp | |
| demangle.hpp | |
| device_qualifier.hpp | |
| Factory.hpp | |
| flatten.hpp | |
| for_each_pair.hpp | |
| get.hpp | |
| Histogram.hpp | |
| index.hpp | |
| integral_parameter.hpp | |
| linear_interpolation.hpp | |
| mask.hpp | |
| matrix.hpp | Matrix implementation and trait types for boost qvm interoperability |
| NumeratedContainer.hpp | Keep an enumerated list of T objects, managed by the class |
| quaternion.hpp | Quaternion implementation and trait types for boost qvm interoperability |
| raster.hpp | |
| sampling.hpp | |
| u32_to_u64.hpp | |
| uniform.hpp | |
| Vector.hpp | Vector implementation and trait types for boost qvm interoperability |
| ► walberla_bridge | |
| ► include | |
| ► walberla_bridge | |
| ► electrokinetics | |
| ► PoissonSolver | |
| FFT.hpp | |
| None.hpp | |
| PoissonSolver.hpp | |
| ► reactions | |
| EKReactant.hpp | |
| EKReactionBase.hpp | |
| EKReactionBaseIndexed.hpp | |
| ek_poisson_fft_init.hpp | |
| ek_poisson_none_init.hpp | |
| ek_walberla_init.hpp | |
| EKContainer.hpp | |
| EKinWalberlaBase.hpp | |
| ► lattice_boltzmann | |
| lb_walberla_init.hpp | |
| LBWalberlaBase.hpp | LBWalberlaBase provides the public interface of the LB waLBerla bridge |
| LeesEdwardsPack.hpp | |
| ► utils | |
| ResourceManager.hpp | |
| Architecture.hpp | |
| BlockAndCell.hpp | |
| LatticeModel.hpp | |
| LatticeWalberla.hpp | |
| VTKHandle.hpp | |
| walberla_init.hpp | |
| ► src | |
| ► electrokinetics | |
| ► generated_kernels | |
| AdvectiveFluxKernel_double_precision.cpp | |
| AdvectiveFluxKernel_double_precision.h | |
| AdvectiveFluxKernel_single_precision.cpp | |
| AdvectiveFluxKernel_single_precision.h | |
| ContinuityKernel_double_precision.cpp | |
| ContinuityKernel_double_precision.h | |
| ContinuityKernel_single_precision.cpp | |
| ContinuityKernel_single_precision.h | |
| DiffusiveFluxKernel_double_precision.cpp | |
| DiffusiveFluxKernel_double_precision.h | |
| DiffusiveFluxKernel_single_precision.cpp | |
| DiffusiveFluxKernel_single_precision.h | |
| DiffusiveFluxKernelThermalized_double_precision.cpp | |
| DiffusiveFluxKernelThermalized_double_precision.h | |
| DiffusiveFluxKernelThermalized_single_precision.cpp | |
| DiffusiveFluxKernelThermalized_single_precision.h | |
| DiffusiveFluxKernelWithElectrostatic_double_precision.cpp | |
| DiffusiveFluxKernelWithElectrostatic_double_precision.h | |
| DiffusiveFluxKernelWithElectrostatic_single_precision.cpp | |
| DiffusiveFluxKernelWithElectrostatic_single_precision.h | |
| DiffusiveFluxKernelWithElectrostaticThermalized_double_precision.cpp | |
| DiffusiveFluxKernelWithElectrostaticThermalized_double_precision.h | |
| DiffusiveFluxKernelWithElectrostaticThermalized_single_precision.cpp | |
| DiffusiveFluxKernelWithElectrostaticThermalized_single_precision.h | |
| Dirichlet_double_precision.cpp | |
| Dirichlet_double_precision.h | |
| Dirichlet_single_precision.cpp | |
| Dirichlet_single_precision.h | |
| FixedFlux_double_precision.cpp | |
| FixedFlux_double_precision.h | |
| FixedFlux_single_precision.cpp | |
| FixedFlux_single_precision.h | |
| FrictionCouplingKernel_double_precision.cpp | |
| FrictionCouplingKernel_double_precision.h | |
| FrictionCouplingKernel_single_precision.cpp | |
| FrictionCouplingKernel_single_precision.h | |
| myintrin.h | |
| philox_rand.h | |
| ► reactions | |
| ► generated_kernels | |
| ReactionKernelBulk_1_double_precision.cpp | |
| ReactionKernelBulk_1_double_precision.h | |
| ReactionKernelBulk_1_single_precision.cpp | |
| ReactionKernelBulk_1_single_precision.h | |
| ReactionKernelBulk_2_double_precision.cpp | |
| ReactionKernelBulk_2_double_precision.h | |
| ReactionKernelBulk_2_single_precision.cpp | |
| ReactionKernelBulk_2_single_precision.h | |
| ReactionKernelBulk_3_double_precision.cpp | |
| ReactionKernelBulk_3_double_precision.h | |
| ReactionKernelBulk_3_single_precision.cpp | |
| ReactionKernelBulk_3_single_precision.h | |
| ReactionKernelBulk_4_double_precision.cpp | |
| ReactionKernelBulk_4_double_precision.h | |
| ReactionKernelBulk_4_single_precision.cpp | |
| ReactionKernelBulk_4_single_precision.h | |
| ReactionKernelBulk_5_double_precision.cpp | |
| ReactionKernelBulk_5_double_precision.h | |
| ReactionKernelBulk_5_single_precision.cpp | |
| ReactionKernelBulk_5_single_precision.h | |
| ReactionKernelBulk_all.h | |
| ReactionKernelIndexed_1_double_precision.cpp | |
| ReactionKernelIndexed_1_double_precision.h | |
| ReactionKernelIndexed_1_single_precision.cpp | |
| ReactionKernelIndexed_1_single_precision.h | |
| ReactionKernelIndexed_2_double_precision.cpp | |
| ReactionKernelIndexed_2_double_precision.h | |
| ReactionKernelIndexed_2_single_precision.cpp | |
| ReactionKernelIndexed_2_single_precision.h | |
| ReactionKernelIndexed_3_double_precision.cpp | |
| ReactionKernelIndexed_3_double_precision.h | |
| ReactionKernelIndexed_3_single_precision.cpp | |
| ReactionKernelIndexed_3_single_precision.h | |
| ReactionKernelIndexed_4_double_precision.cpp | |
| ReactionKernelIndexed_4_double_precision.h | |
| ReactionKernelIndexed_4_single_precision.cpp | |
| ReactionKernelIndexed_4_single_precision.h | |
| ReactionKernelIndexed_5_double_precision.cpp | |
| ReactionKernelIndexed_5_double_precision.h | |
| ReactionKernelIndexed_5_single_precision.cpp | |
| ReactionKernelIndexed_5_single_precision.h | |
| ReactionKernelIndexed_all.h | |
| EKReactionImplBulk.hpp | |
| EKReactionImplIndexed.hpp | |
| ek_kernels.hpp | |
| ek_poisson_fft_init.cpp | |
| ek_poisson_none_init.cpp | |
| ek_walberla_init.cpp | |
| EKinWalberlaImpl.hpp | |
| ► lattice_boltzmann | |
| ► generated_kernels | |
| CollideSweepDoublePrecisionLeesEdwards.cpp | |
| CollideSweepDoublePrecisionLeesEdwards.h | |
| CollideSweepDoublePrecisionLeesEdwardsAVX.cpp | |
| CollideSweepDoublePrecisionLeesEdwardsAVX.h | |
| CollideSweepDoublePrecisionLeesEdwardsCUDA.cu | |
| CollideSweepDoublePrecisionLeesEdwardsCUDA.h | |
| CollideSweepDoublePrecisionThermalized.cpp | |
| CollideSweepDoublePrecisionThermalized.h | |
| CollideSweepDoublePrecisionThermalizedAVX.cpp | |
| CollideSweepDoublePrecisionThermalizedAVX.h | |
| CollideSweepDoublePrecisionThermalizedCUDA.cu | |
| CollideSweepDoublePrecisionThermalizedCUDA.h | |
| CollideSweepSinglePrecisionLeesEdwards.cpp | |
| CollideSweepSinglePrecisionLeesEdwards.h | |
| CollideSweepSinglePrecisionLeesEdwardsAVX.cpp | |
| CollideSweepSinglePrecisionLeesEdwardsAVX.h | |
| CollideSweepSinglePrecisionLeesEdwardsCUDA.cu | |
| CollideSweepSinglePrecisionLeesEdwardsCUDA.h | |
| CollideSweepSinglePrecisionThermalized.cpp | |
| CollideSweepSinglePrecisionThermalized.h | |
| CollideSweepSinglePrecisionThermalizedAVX.cpp | |
| CollideSweepSinglePrecisionThermalizedAVX.h | |
| CollideSweepSinglePrecisionThermalizedCUDA.cu | |
| CollideSweepSinglePrecisionThermalizedCUDA.h | |
| DynamicUBBDoublePrecision.cpp | |
| DynamicUBBDoublePrecision.h | |
| DynamicUBBDoublePrecisionCUDA.cu | |
| DynamicUBBDoublePrecisionCUDA.h | |
| DynamicUBBSinglePrecision.cpp | |
| DynamicUBBSinglePrecision.h | |
| DynamicUBBSinglePrecisionCUDA.cu | |
| DynamicUBBSinglePrecisionCUDA.h | |
| FieldAccessorsDoublePrecision.h | |
| FieldAccessorsDoublePrecisionCUDA.cu | Lattice field accessors |
| FieldAccessorsDoublePrecisionCUDA.cuh | Lattice field accessors |
| FieldAccessorsSinglePrecision.h | |
| FieldAccessorsSinglePrecisionCUDA.cu | Lattice field accessors |
| FieldAccessorsSinglePrecisionCUDA.cuh | Lattice field accessors |
| InitialPDFsSetterDoublePrecision.cpp | |
| InitialPDFsSetterDoublePrecision.h | |
| InitialPDFsSetterDoublePrecisionCUDA.cu | |
| InitialPDFsSetterDoublePrecisionCUDA.h | |
| InitialPDFsSetterSinglePrecision.cpp | |
| InitialPDFsSetterSinglePrecision.h | |
| InitialPDFsSetterSinglePrecisionCUDA.cu | |
| InitialPDFsSetterSinglePrecisionCUDA.h | |
| myintrin.h | |
| PackInfoPdfDoublePrecision.cpp | |
| PackInfoPdfDoublePrecision.h | |
| PackInfoPdfDoublePrecisionCUDA.cu | |
| PackInfoPdfDoublePrecisionCUDA.h | |
| PackInfoPdfSinglePrecision.cpp | |
| PackInfoPdfSinglePrecision.h | |
| PackInfoPdfSinglePrecisionCUDA.cu | |
| PackInfoPdfSinglePrecisionCUDA.h | |
| PackInfoVecDoublePrecision.cpp | |
| PackInfoVecDoublePrecision.h | |
| PackInfoVecDoublePrecisionCUDA.cu | |
| PackInfoVecDoublePrecisionCUDA.h | |
| PackInfoVecSinglePrecision.cpp | |
| PackInfoVecSinglePrecision.h | |
| PackInfoVecSinglePrecisionCUDA.cu | |
| PackInfoVecSinglePrecisionCUDA.h | |
| philox_rand.h | |
| StreamSweepDoublePrecision.cpp | |
| StreamSweepDoublePrecision.h | |
| StreamSweepDoublePrecisionAVX.cpp | |
| StreamSweepDoublePrecisionAVX.h | |
| StreamSweepDoublePrecisionCUDA.cu | |
| StreamSweepDoublePrecisionCUDA.h | |
| StreamSweepSinglePrecision.cpp | |
| StreamSweepSinglePrecision.h | |
| StreamSweepSinglePrecisionAVX.cpp | |
| StreamSweepSinglePrecisionAVX.h | |
| StreamSweepSinglePrecisionCUDA.cu | |
| StreamSweepSinglePrecisionCUDA.h | |
| InterpolateAndShiftAtBoundary.hpp | |
| lb_kernels.cuh | |
| lb_kernels.hpp | |
| lb_walberla_init.cpp | |
| lb_walberla_init.cu | |
| LBWalberlaImpl.hpp | walberla::LBWalberlaImpl implements the interface of the LB waLBerla bridge using sweeps generated by lbmpy (see maintainer/walberla_kernels) |
| ResetForce.hpp | |
| ► utils | |
| boundary.hpp | |
| types_conversion.hpp | |
| BoundaryHandling.hpp | |
| BoundaryPackInfo.hpp | |
| LatticeModel.cpp | |
| LatticeWalberla.cpp | |
| walberla_init.cpp | |
1.9.8 