short_range_cabana.hpp File Reference

#include <config/config.hpp>
#include "cell_system/CellStructure.hpp"
#include "aosoa_pack.hpp"
#include "custom_verlet_list.hpp"
#include "forces_cabana.hpp"
#include <Cabana_Core.hpp>
#include <Cabana_NeighborList.hpp>
#include <caliper/cali.h>
#include <iterator>
#include <span>
#include <utility>

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Functions
template<class KokkosRangePolicy = Kokkos::RangePolicy<>>
ESPRESSO_ATTR_ALWAYS_INLINE void	kokkos_parallel_range_for (auto const &name, auto start, auto end, auto const &kernel)
ESPRESSO_ATTR_ALWAYS_INLINE void	commit_particle (Particle const &p, auto const index, CellStructure::AoSoA_pack &aosoa, bool const rebuild)
ESPRESSO_ATTR_ALWAYS_INLINE void	link_cell_kokkos (std::span< Cell *const > cells, BoxGeometry const &box_geo, auto const &verlet_criterion, Kokkos::View< int * > const &id_to_index, int const max_id, auto const &intra_operator, auto const &inter_operator)
ESPRESSO_ATTR_ALWAYS_INLINE void	update_cabana_state (CellStructure &cell_structure, auto const &verlet_criterion, double const pair_cutoff, auto const integ_switch)
ESPRESSO_ATTR_ALWAYS_INLINE void	update_aosoa_charges (CellStructure &cell_structure)
void	cabana_short_range (auto const &bond_kernel, auto const &forces_kernel, CellStructure &cell_structure, double pair_cutoff, double bond_cutoff, auto const &verlet_criterion, auto const integ_switch)

Function Documentation

cabana_short_range()

void cabana_short_range	(	auto const &	bond_kernel,
		auto const &	forces_kernel,
		CellStructure &	cell_structure,
		double	pair_cutoff,
		double	bond_cutoff,
		auto const &	verlet_criterion,
		auto const	integ_switch
	)

Definition at line 266 of file short_range_cabana.hpp.

References CellStructure::bond_loop(), CellStructure::cell_list_loop(), CellStructure::get_cached_max_local_particle_id(), CellStructure::get_id_to_index(), CellStructure::get_resort_particles(), CellStructure::get_unique_particles(), CellStructure::get_verlet_list_cabana(), INTEG_METHOD_STEEPEST_DESCENT, link_cell_kokkos(), Cells::RESORT_NONE, and CellStructure::use_verlet_list.

Referenced by System::System::calculate_forces().

commit_particle()

ESPRESSO_ATTR_ALWAYS_INLINE void commit_particle ( Particle const &  p, auto const  index, CellStructure::AoSoA_pack &  aosoa, bool const  rebuild  )

inline

Definition at line 58 of file short_range_cabana.hpp.

References CellStructure::AoSoA_pack::charge, Utils::convert_quaternion_to_director(), CellStructure::AoSoA_pack::dipm, Particle::dipm(), CellStructure::AoSoA_pack::director, Particle::exclusions(), CellStructure::AoSoA_pack::flags, CellStructure::AoSoA_pack::id, Particle::id(), Particle::pos(), CellStructure::AoSoA_pack::position, Particle::q(), Particle::quat(), CellStructure::AoSoA_pack::set_has_exclusion(), CellStructure::AoSoA_pack::set_vector_at(), CellStructure::AoSoA_pack::type, Particle::type(), Particle::v(), and CellStructure::AoSoA_pack::velocity.

Referenced by update_cabana_state().

kokkos_parallel_range_for()

template<class KokkosRangePolicy = Kokkos::RangePolicy<>>

ESPRESSO_ATTR_ALWAYS_INLINE void kokkos_parallel_range_for ( auto const &  name, auto  start, auto  end, auto const &  kernel  )

inline

Definition at line 45 of file short_range_cabana.hpp.

Referenced by CoulombP3MHeffte< FloatType, Architecture, FFTConfig >::long_range_kernel(), anonymous_namespace{dp3m_heffte.impl.hpp}::AssignDipole< cao >::operator()(), anonymous_namespace{dp3m_heffte.impl.hpp}::AssignTorques< cao >::operator()(), anonymous_namespace{dp3m_heffte.impl.hpp}::AssignForcesDip< cao >::operator()(), anonymous_namespace{p3m_heffte.impl.hpp}::AssignCharge< cao >::operator()(), and anonymous_namespace{p3m_heffte.impl.hpp}::AssignForces< cao >::operator()().

link_cell_kokkos()

ESPRESSO_ATTR_ALWAYS_INLINE void link_cell_kokkos ( std::span< Cell *const >  cells, BoxGeometry const &  box_geo, auto const &  verlet_criterion, Kokkos::View< int * > const &  id_to_index, int const  max_id, auto const &  intra_operator, auto const &  inter_operator  )

inline

Definition at line 91 of file short_range_cabana.hpp.

Referenced by cabana_short_range(), and update_cabana_state().

update_aosoa_charges()

ESPRESSO_ATTR_ALWAYS_INLINE void update_aosoa_charges ( CellStructure &  cell_structure )

inline

Definition at line 251 of file short_range_cabana.hpp.

References CellStructure::get_aosoa(), and CellStructure::get_unique_particles().

Referenced by ICCStar::iteration().

update_cabana_state()

ESPRESSO_ATTR_ALWAYS_INLINE void update_cabana_state ( CellStructure &  cell_structure, auto const &  verlet_criterion, double const  pair_cutoff, auto const  integ_switch  )

inline

Definition at line 159 of file short_range_cabana.hpp.

References CustomVerletList< MemorySpace, AlgorithmTag, LayoutTag, BuildTag >::addNeighbor(), CustomVerletList< MemorySpace, AlgorithmTag, LayoutTag, BuildTag >::addNeighborLB(), commit_particle(), CellStructure::get_aosoa(), CellStructure::get_cached_max_local_particle_id(), CellStructure::get_id_to_index(), CellStructure::get_unique_particles(), CustomVerletList< MemorySpace, AlgorithmTag, LayoutTag, BuildTag >::hasOverflow(), INTEG_METHOD_STEEPEST_DESCENT, link_cell_kokkos(), CellStructure::prepare_verlet_list_cabana(), CellStructure::rebuild_verlet_list_cabana(), runtimeWarningMsg, and CellStructure::use_verlet_list.

Referenced by System::System::calculate_forces(), and System::System::rebuild_aosoa().