CoulombP3MState< FloatType, FFTConfig > Struct Template Reference

Base class for the electrostatics P3M algorithm. More...

#include <p3m_heffte.hpp>

Inheritance diagram for CoulombP3MState< FloatType, FFTConfig >:

Collaboration diagram for CoulombP3MState< FloatType, FFTConfig >:

Public Types
using	value_type = FloatType
using	ComplexType = std::complex< value_type >
Public Types inherited from P3MStateCommon< FloatType >
using	value_type = FloatType

Public Member Functions
void	init_labels ()
Public Member Functions inherited from P3MStateCommon< FloatType >
	P3MStateCommon (P3MParameters &&parameters)
void	calc_differential_operator ()
	Calculate the Fourier transformed differential operator.

Public Attributes
std::size_t	sum_qpart = 0
	number of charged particles.
double	sum_q2 = 0.
	Sum of square of charges.
double	square_sum_q = 0.
	square of sum of charges.
p3m_interpolation_cache	inter_weights
std::vector< FloatType >	rs_charge_density
	charge density in real-space with halo
std::vector< ComplexType >	ks_charge_density
	charge density in k-space without halo
std::array< std::vector< FloatType >, 3 >	rs_E_fields
	electric fields in real-space with halo
std::array< std::vector< ComplexType >, 3 >	ks_E_fields
	electric fields in k-space without halo
std::array< std::vector< FloatType >, 3 >	rs_E_fields_no_halo
	electric fields in real-space without halo
p3m_send_mesh< FloatType >	halo_comm
std::shared_ptr< P3MFFT< FloatType, FFTConfig > >	fft
Kokkos::View< FloatType **, Kokkos::LayoutRight, Kokkos::HostSpace >	rs_charge_density_kokkos
Public Attributes inherited from P3MStateCommon< FloatType >
P3MParameters	params
	P3M base parameters.
P3MLocalMesh	local_mesh
	Local mesh geometry information for this MPI rank.
std::array< std::vector< int >, 3 >	d_op
	Spatial differential operator in k-space.
std::vector< FloatType >	g_force
	Force optimised influence function (k-space)
std::vector< FloatType >	g_energy
	Energy optimised influence function (k-space)

Detailed Description

template<typename FloatType, class FFTConfig>
struct CoulombP3MState< FloatType, FFTConfig >

Base class for the electrostatics P3M algorithm.

Contains a handle to the FFT backend, information about the local mesh, the differential operator, and various buffers.

Definition at line 62 of file p3m_heffte.hpp.

Member Typedef Documentation

ComplexType

template<typename FloatType , class FFTConfig >

using CoulombP3MState< FloatType, FFTConfig >::ComplexType = std::complex<value_type>

Definition at line 65 of file p3m_heffte.hpp.

value_type

template<typename FloatType , class FFTConfig >

using CoulombP3MState< FloatType, FFTConfig >::value_type = FloatType

Definition at line 64 of file p3m_heffte.hpp.

Member Function Documentation

init_labels()

template<typename FloatType , class FFTConfig >

void CoulombP3MState< FloatType, FFTConfig >::init_labels ( )

inline

Definition at line 92 of file p3m_heffte.hpp.

References CoulombP3MState< FloatType, FFTConfig >::rs_charge_density, CoulombP3MState< FloatType, FFTConfig >::rs_charge_density_kokkos, and stream.

Referenced by CoulombP3MHeffte< FloatType, Architecture, FFTConfig >::CoulombP3MHeffte().

Member Data Documentation

fft

template<typename FloatType , class FFTConfig >

std::shared_ptr<P3MFFT<FloatType, FFTConfig> > CoulombP3MState< FloatType, FFTConfig >::fft

Definition at line 87 of file p3m_heffte.hpp.

Referenced by CoulombTuningAlgorithm< FloatType, Architecture, FFTConfig >::fft_decomposition_veto().

halo_comm

template<typename FloatType , class FFTConfig >

p3m_send_mesh<FloatType> CoulombP3MState< FloatType, FFTConfig >::halo_comm

Definition at line 86 of file p3m_heffte.hpp.

Referenced by CoulombP3MHeffte< FloatType, Architecture, FFTConfig >::scaleby_box_l().

inter_weights

template<typename FloatType , class FFTConfig >

p3m_interpolation_cache CoulombP3MState< FloatType, FFTConfig >::inter_weights

Definition at line 74 of file p3m_heffte.hpp.

Referenced by anonymous_namespace{p3m_heffte.impl.hpp}::AssignCharge< cao >::operator()(), and CoulombP3MHeffte< FloatType, Architecture, FFTConfig >::prepare_fft_mesh().

ks_charge_density

template<typename FloatType , class FFTConfig >

std::vector<ComplexType> CoulombP3MState< FloatType, FFTConfig >::ks_charge_density

charge density in k-space without halo

Definition at line 79 of file p3m_heffte.hpp.

ks_E_fields

template<typename FloatType , class FFTConfig >

std::array<std::vector<ComplexType>, 3> CoulombP3MState< FloatType, FFTConfig >::ks_E_fields

electric fields in k-space without halo

Definition at line 83 of file p3m_heffte.hpp.

rs_charge_density

template<typename FloatType , class FFTConfig >

std::vector<FloatType> CoulombP3MState< FloatType, FFTConfig >::rs_charge_density

charge density in real-space with halo

Definition at line 77 of file p3m_heffte.hpp.

Referenced by CoulombP3MState< FloatType, FFTConfig >::init_labels(), and CoulombP3MHeffte< FloatType, Architecture, FFTConfig >::prepare_fft_mesh().

rs_charge_density_kokkos

template<typename FloatType , class FFTConfig >

Kokkos::View<FloatType **, Kokkos::LayoutRight, Kokkos::HostSpace> CoulombP3MState< FloatType, FFTConfig >::rs_charge_density_kokkos

Definition at line 90 of file p3m_heffte.hpp.

Referenced by CoulombP3MState< FloatType, FFTConfig >::init_labels(), and CoulombP3MHeffte< FloatType, Architecture, FFTConfig >::prepare_fft_mesh().

rs_E_fields

template<typename FloatType , class FFTConfig >

std::array<std::vector<FloatType>, 3> CoulombP3MState< FloatType, FFTConfig >::rs_E_fields

electric fields in real-space with halo

Definition at line 81 of file p3m_heffte.hpp.

rs_E_fields_no_halo

template<typename FloatType , class FFTConfig >

std::array<std::vector<FloatType>, 3> CoulombP3MState< FloatType, FFTConfig >::rs_E_fields_no_halo

electric fields in real-space without halo

Definition at line 85 of file p3m_heffte.hpp.

square_sum_q

template<typename FloatType , class FFTConfig >

double CoulombP3MState< FloatType, FFTConfig >::square_sum_q = 0.

square of sum of charges.

Definition at line 72 of file p3m_heffte.hpp.

Referenced by CoulombP3MHeffte< FloatType, Architecture, FFTConfig >::count_charged_particles_elc().

sum_q2

template<typename FloatType , class FFTConfig >

double CoulombP3MState< FloatType, FFTConfig >::sum_q2 = 0.

Sum of square of charges.

Definition at line 70 of file p3m_heffte.hpp.

Referenced by CoulombTuningAlgorithm< FloatType, Architecture, FFTConfig >::calculate_accuracy(), CoulombP3MHeffte< FloatType, Architecture, FFTConfig >::count_charged_particles_elc(), and CoulombTuningAlgorithm< FloatType, Architecture, FFTConfig >::setup_logger().

sum_qpart

template<typename FloatType , class FFTConfig >

std::size_t CoulombP3MState< FloatType, FFTConfig >::sum_qpart = 0

number of charged particles.

Definition at line 68 of file p3m_heffte.hpp.

Referenced by CoulombTuningAlgorithm< FloatType, Architecture, FFTConfig >::calculate_accuracy(), CoulombP3MHeffte< FloatType, Architecture, FFTConfig >::count_charged_particles_elc(), CoulombTuningAlgorithm< FloatType, Architecture, FFTConfig >::determine_mesh_limits(), CoulombTuningAlgorithm< FloatType, Architecture, FFTConfig >::setup_logger(), and CoulombP3MHeffte< FloatType, Architecture, FFTConfig >::tune().

---

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

• p3m_heffte.hpp