#include <dp3m.impl.hpp>

Inheritance diagram for DipolarP3MImpl< FloatType, Architecture >:

Collaboration diagram for DipolarP3MImpl< FloatType, Architecture >:

Public Member Functions
	~DipolarP3MImpl () override=default

	DipolarP3MImpl (std::unique_ptr< p3m_data_struct_dipoles< FloatType > > &&dp3m_handle, double prefactor, int tune_timings, bool tune_verbose)

void	init () override

void	tune () override

void	count_magnetic_particles () override

bool	is_tuned () const noexcept override

bool	is_gpu () const noexcept override

bool	is_double_precision () const noexcept override

void	on_activation () override

double	long_range_energy (ParticleRange const &particles) override

void	add_long_range_forces (ParticleRange const &particles) override

void	dipole_assign (ParticleRange const &particles) override

Public Member Functions inherited from DipolarP3M
	DipolarP3M (P3MParameters const &dp3m_params)

virtual	~DipolarP3M ()=default

void	on_boxl_change ()
	Recalculate all box-length-dependent parameters.

void	on_node_grid_change () const

void	on_periodicity_change () const

void	on_cell_structure_change ()

void	sanity_checks () const

ParticleForce	pair_force (Particle const &p1, Particle const &p2, Utils::Vector3d const &d, double dist2, double dist) const
	Calculate real-space contribution of p3m dipolar pair forces and torques.

double	pair_energy (Particle const &p1, Particle const &p2, Utils::Vector3d const &d, double dist2, double dist) const
	Calculate real-space contribution of dipolar pair energy.

Public Member Functions inherited from Dipoles::Actor< DipolarP3M >
void	set_prefactor (double new_prefactor)

Public Member Functions inherited from System::Leaf< Class >
void	bind_system (std::shared_ptr< System > const &system)

void	detach_system (std::shared_ptr< System > const &system)

Public Attributes
p3m_data_struct_dipoles< FloatType > &	dp3m
	Dipolar P3M parameters.

Public Attributes inherited from DipolarP3M
P3MParameters const &	dp3m_params

Public Attributes inherited from Dipoles::Actor< DipolarP3M >
double	prefactor
	Magnetostatics prefactor.

Protected Member Functions
double	long_range_kernel (bool force_flag, bool energy_flag, ParticleRange const &particles)
	Compute the k-space part of forces and energies.

double	calc_average_self_energy_k_space () const override

void	calc_energy_correction () override

void	calc_influence_function_force () override

void	calc_influence_function_energy () override

double	calc_surface_term (bool force_flag, bool energy_flag, ParticleRange const &particles) override

void	init_cpu_kernels ()

void	scaleby_box_l () override

Protected Member Functions inherited from DipolarP3M
void	sanity_checks_boxl () const
	Checks for correctness of the k-space cutoff.

void	sanity_checks_node_grid () const

void	sanity_checks_periodicity () const

void	sanity_checks_cell_structure () const

Protected Member Functions inherited from System::Leaf< Class >
auto &	get_system ()

auto &	get_system () const

Additional Inherited Members
Protected Attributes inherited from System::Leaf< Class >
std::weak_ptr< System >	m_system

Detailed Description

template<typename FloatType, Arch Architecture>
struct DipolarP3MImpl< FloatType, Architecture >

Definition at line 65 of file dp3m.impl.hpp.

Constructor & Destructor Documentation

◆ ~DipolarP3MImpl()

template<typename FloatType , Arch Architecture>

DipolarP3MImpl< FloatType, Architecture >::~DipolarP3MImpl ( )

overridedefault

◆ DipolarP3MImpl()

template<typename FloatType , Arch Architecture>

DipolarP3MImpl< FloatType, Architecture >::DipolarP3MImpl	(	std::unique_ptr< p3m_data_struct_dipoles< FloatType > > &&	dp3m_handle,
		double	prefactor,
		int	tune_timings,
		bool	tune_verbose
	)

inline

Definition at line 79 of file dp3m.impl.hpp.

References Utils::Vector< T, N >::broadcast(), DipolarP3MImpl< FloatType, Architecture >::dp3m, Dipoles::Actor< DipolarP3M >::prefactor, and Dipoles::Actor< DipolarP3M >::set_prefactor().

Member Function Documentation

◆ add_long_range_forces()

template<typename FloatType , Arch Architecture>

void DipolarP3MImpl< FloatType, Architecture >::add_long_range_forces ( ParticleRange const & particles )

inlineoverridevirtual

Implements DipolarP3M.

Definition at line 122 of file dp3m.impl.hpp.

References CPU, and DipolarP3MImpl< FloatType, Architecture >::long_range_kernel().

◆ calc_average_self_energy_k_space()

template<typename FloatType , Arch Architecture>

double DipolarP3MImpl< FloatType, Architecture >::calc_average_self_energy_k_space ( ) const

overrideprotectedvirtual

Implements DipolarP3M.

Definition at line 115 of file dp3m.cpp.

References System::System::box_geo, comm_cart, and grid_influence_function_self_energy().

◆ calc_energy_correction()

template<typename FloatType , Arch Architecture>

void DipolarP3MImpl< FloatType, Architecture >::calc_energy_correction ( )

overrideprotectedvirtual

Implements DipolarP3M.

Definition at line 893 of file dp3m.cpp.

References P3MParameters::alpha_L, System::System::box_geo, p3m_data_struct_dipoles< FloatType >::energy_correction, p3m_data_struct< FloatType >::params, and p3m_data_struct_dipoles< FloatType >::sum_mu2.

◆ calc_influence_function_energy()

template<typename FloatType , Arch Architecture>

void DipolarP3MImpl< FloatType, Architecture >::calc_influence_function_energy ( )

overrideprotectedvirtual

Implements DipolarP3M.

Definition at line 527 of file dp3m.cpp.

◆ calc_influence_function_force()

template<typename FloatType , Arch Architecture>

void DipolarP3MImpl< FloatType, Architecture >::calc_influence_function_force ( )

overrideprotectedvirtual

Implements DipolarP3M.

Definition at line 520 of file dp3m.cpp.

◆ calc_surface_term()

template<typename FloatType , Arch Architecture>

double DipolarP3MImpl< FloatType, Architecture >::calc_surface_term	(	bool	force_flag,
		bool	energy_flag,
		ParticleRange const &	particles
	)

overrideprotectedvirtual

Implements DipolarP3M.

Definition at line 452 of file dp3m.cpp.

References System::System::box_geo, comm_cart, and ParticleRange::size().

◆ count_magnetic_particles()

template<typename FloatType , Arch Architecture>

void DipolarP3MImpl< FloatType, Architecture >::count_magnetic_particles ( )

overridevirtual

Implements DipolarP3M.

Definition at line 84 of file dp3m.cpp.

References System::System::cell_structure, and comm_cart.

◆ dipole_assign()

template<typename FloatType , Arch Architecture>

void DipolarP3MImpl< FloatType, Architecture >::dipole_assign ( ParticleRange const & particles )

overridevirtual

Implements DipolarP3M.

Definition at line 177 of file dp3m.cpp.

◆ init()

template<typename FloatType , Arch Architecture>

void DipolarP3MImpl< FloatType, Architecture >::init ( )

inlineoverridevirtual

Implements DipolarP3M.

Definition at line 97 of file dp3m.impl.hpp.

References CPU, and DipolarP3MImpl< FloatType, Architecture >::init_cpu_kernels().

◆ init_cpu_kernels()

template<typename FloatType , Arch Architecture>

void DipolarP3MImpl< FloatType, Architecture >::init_cpu_kernels ( )

protected

Definition at line 128 of file dp3m.cpp.

References Utils::Vector< T, N >::broadcast(), and count_magnetic_particles().

Referenced by DipolarP3MImpl< FloatType, Architecture >::init().

◆ is_double_precision()

template<typename FloatType , Arch Architecture>

bool DipolarP3MImpl< FloatType, Architecture >::is_double_precision ( ) const

inlineoverridevirtualnoexcept

Implements DipolarP3M.

Definition at line 109 of file dp3m.impl.hpp.

◆ is_gpu()

template<typename FloatType , Arch Architecture>

bool DipolarP3MImpl< FloatType, Architecture >::is_gpu ( ) const

inlineoverridevirtualnoexcept

Implements DipolarP3M.

Definition at line 106 of file dp3m.impl.hpp.

References GPU.

◆ is_tuned()

template<typename FloatType , Arch Architecture>

bool DipolarP3MImpl< FloatType, Architecture >::is_tuned ( ) const

inlineoverridevirtualnoexcept

Implements DipolarP3M.

Definition at line 105 of file dp3m.impl.hpp.

◆ long_range_energy()

template<typename FloatType , Arch Architecture>

double DipolarP3MImpl< FloatType, Architecture >::long_range_energy ( ParticleRange const & particles )

inlineoverridevirtual

Implements DipolarP3M.

Definition at line 118 of file dp3m.impl.hpp.

References DipolarP3MImpl< FloatType, Architecture >::long_range_kernel().

◆ long_range_kernel()

template<typename FloatType , Arch Architecture>

double DipolarP3MImpl< FloatType, Architecture >::long_range_kernel	(	bool	force_flag,
		bool	energy_flag,
		ParticleRange const &	particles
	)

protected

Compute the k-space part of forces and energies.

Definition at line 247 of file dp3m.cpp.

References Utils::Vector< T, N >::broadcast(), comm_cart, for_each_3d(), INTEG_METHOD_NPT_ISO, npt_add_virial_contribution(), P3M_EPSILON_METALLIC, Utils::sqr(), and this_node.

Referenced by DipolarP3MImpl< FloatType, Architecture >::add_long_range_forces(), and DipolarP3MImpl< FloatType, Architecture >::long_range_energy().

◆ on_activation()

template<typename FloatType , Arch Architecture>

void DipolarP3MImpl< FloatType, Architecture >::on_activation ( )

inlineoverridevirtual

Implements DipolarP3M.

Definition at line 113 of file dp3m.impl.hpp.

References DipolarP3M::sanity_checks(), and DipolarP3MImpl< FloatType, Architecture >::tune().

◆ scaleby_box_l()

template<typename FloatType , Arch Architecture>

void DipolarP3MImpl< FloatType, Architecture >::scaleby_box_l ( )

overrideprotectedvirtual

Implements DipolarP3M.

Definition at line 880 of file dp3m.cpp.

References P3MParameters::alpha, P3MParameters::alpha_L, System::System::box_geo, p3m_data_struct_dipoles< FloatType >::energy_correction, p3m_data_struct< FloatType >::local_mesh, p3m_data_struct< FloatType >::params, P3MParameters::r_cut, P3MParameters::r_cut_iL, P3MParameters::recalc_a_ai_cao_cut(), and P3MLocalMesh::recalc_ld_pos().

◆ tune()

template<typename FloatType , Arch Architecture>

void DipolarP3MImpl< FloatType, Architecture >::tune ( )

overridevirtual

Implements DipolarP3M.

Definition at line 648 of file dp3m.cpp.

References P3MParameters::alpha, P3MParameters::alpha_L, count_magnetic_particles(), TuningAlgorithm::determine_cao_limits(), DipolarTuningAlgorithm< FloatType, Architecture >::determine_mesh_limits(), TuningAlgorithm::determine_r_cut_limits(), p3m_data_struct< FloatType >::params, P3MParameters::r_cut, P3MParameters::r_cut_iL, DipolarTuningAlgorithm< FloatType, Architecture >::setup_logger(), p3m_data_struct_dipoles< FloatType >::sum_dip_part, TuningAlgorithm::tune(), and P3MParameters::tuning.

Referenced by DipolarP3MImpl< FloatType, Architecture >::on_activation().

Member Data Documentation

◆ dp3m

template<typename FloatType , Arch Architecture>

p3m_data_struct_dipoles<FloatType>& DipolarP3MImpl< FloatType, Architecture >::dp3m

Dipolar P3M parameters.

Definition at line 69 of file dp3m.impl.hpp.

Referenced by DipolarP3MImpl< FloatType, Architecture >::DipolarP3MImpl().

The documentation for this struct was generated from the following files:

Public Member Functions

Public Attributes

Protected Member Functions

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ ~DipolarP3MImpl()

◆ DipolarP3MImpl()

Member Function Documentation

◆ add_long_range_forces()

◆ calc_average_self_energy_k_space()

◆ calc_energy_correction()

◆ calc_influence_function_energy()

◆ calc_influence_function_force()

◆ calc_surface_term()

◆ count_magnetic_particles()

◆ dipole_assign()

◆ init()

◆ init_cpu_kernels()

◆ is_double_precision()

◆ is_gpu()

◆ is_tuned()

◆ long_range_energy()

◆ long_range_kernel()

◆ on_activation()

◆ scaleby_box_l()

◆ tune()

Member Data Documentation

◆ dp3m