Coulomb::Solver Struct Reference

#include <solver.hpp>

Collaboration diagram for Coulomb::Solver:

Classes
struct	Implementation

Public Types
using	ShortRangeForceKernel = std::function< Utils::Vector3d(double, Utils::Vector3d const &, double)>
using	ShortRangeForceCorrectionsKernel = std::function< void(Utils::Vector3d const &, Utils::Vector3d const &, Utils::Vector3d &, Utils::Vector3d &, double)>
using	ShortRangePressureKernel = std::function< Utils::Matrix< double, 3, 3 >(double, Utils::Vector3d const &, double)>
using	ShortRangeEnergyKernel = std::function< double(Utils::Vector3d const &, Utils::Vector3d const &, double, Utils::Vector3d const &, double)>

Public Member Functions
Utils::Vector9d	calc_pressure_long_range (ParticleRange const &particles) const
void	sanity_checks () const
double	cutoff () const
void	on_observable_calc ()
void	on_coulomb_change ()
void	on_boxl_change ()
void	on_node_grid_change ()
void	on_periodicity_change ()
void	on_cell_structure_change ()
void	on_particle_change ()
void	calc_long_range_force (ParticleRange const &particles) const
double	calc_energy_long_range (ParticleRange const &particles) const
	Solver ()
std::optional< ShortRangeForceKernel >	pair_force_kernel () const
std::optional< ShortRangePressureKernel >	pair_pressure_kernel () const
std::optional< ShortRangeEnergyKernel >	pair_energy_kernel () const
std::optional< ShortRangeForceCorrectionsKernel >	pair_force_elc_kernel () const

Public Attributes
std::unique_ptr< Implementation >	impl
	Pointer-to-implementation.
bool	reinit_on_observable_calc
	Whether to reinitialize the solver on observable calculation.

Detailed Description

Definition at line 39 of file electrostatics/solver.hpp.

Member Typedef Documentation

ShortRangeEnergyKernel

using Coulomb::Solver::ShortRangeEnergyKernel = std::function<double(Utils::Vector3d const &, Utils::Vector3d const &, double, Utils::Vector3d const &, double)>

Definition at line 76 of file electrostatics/solver.hpp.

ShortRangeForceCorrectionsKernel

using Coulomb::Solver::ShortRangeForceCorrectionsKernel = std::function<void(Utils::Vector3d const &, Utils::Vector3d const &, Utils::Vector3d &, Utils::Vector3d &, double)>

Definition at line 71 of file electrostatics/solver.hpp.

ShortRangeForceKernel

using Coulomb::Solver::ShortRangeForceKernel = std::function<Utils::Vector3d(double, Utils::Vector3d const &, double)>

Definition at line 69 of file electrostatics/solver.hpp.

ShortRangePressureKernel

using Coulomb::Solver::ShortRangePressureKernel = std::function<Utils::Matrix<double, 3, 3>( double, Utils::Vector3d const &, double)>

Definition at line 74 of file electrostatics/solver.hpp.

Constructor & Destructor Documentation

Solver()

Coulomb::Solver::Solver

(

)

Definition at line 60 of file coulomb.cpp.

References impl, and reinit_on_observable_calc.

Member Function Documentation

calc_energy_long_range()

double Coulomb::Solver::calc_energy_long_range

(

ParticleRange const &

particles

)

const

Definition at line 267 of file coulomb.cpp.

References impl.

calc_long_range_force()

void Coulomb::Solver::calc_long_range_force

(

ParticleRange const &

particles

)

const

Definition at line 261 of file coulomb.cpp.

References impl.

Referenced by calc_long_range_forces().

calc_pressure_long_range()

Utils::Vector9d Coulomb::Solver::calc_pressure_long_range

(

ParticleRange const &

particles

)

const

Definition at line 137 of file coulomb.cpp.

References impl.

cutoff()

double Coulomb::Solver::cutoff

(

)

const

Definition at line 173 of file coulomb.cpp.

References impl, and inactive_cutoff.

on_boxl_change()

void Coulomb::Solver::on_boxl_change

(

)

Definition at line 80 of file coulomb.cpp.

References impl, and visit_try_catch().

on_cell_structure_change()

void Coulomb::Solver::on_cell_structure_change

(

)

Definition at line 99 of file coulomb.cpp.

References impl, and visit_try_catch().

on_coulomb_change()

void Coulomb::Solver::on_coulomb_change

(

)

Definition at line 73 of file coulomb.cpp.

References impl, reinit_on_observable_calc, and visit_try_catch().

on_node_grid_change()

void Coulomb::Solver::on_node_grid_change

(

)

Definition at line 86 of file coulomb.cpp.

References impl.

on_observable_calc()

void Coulomb::Solver::on_observable_calc

(

)

Definition at line 194 of file coulomb.cpp.

References impl, and reinit_on_observable_calc.

on_particle_change()

void Coulomb::Solver::on_particle_change ( )

inline

Definition at line 59 of file electrostatics/solver.hpp.

References reinit_on_observable_calc.

on_periodicity_change()

void Coulomb::Solver::on_periodicity_change

(

)

Definition at line 92 of file coulomb.cpp.

References impl, and visit_try_catch().

pair_energy_kernel()

std::optional< Solver::ShortRangeEnergyKernel > Coulomb::Solver::pair_energy_kernel ( ) const

inline

Definition at line 185 of file coulomb_inline.hpp.

References impl.

Referenced by PairCriteria::EnergyCriterion::decide().

pair_force_elc_kernel()

std::optional< Solver::ShortRangeForceCorrectionsKernel > Coulomb::Solver::pair_force_elc_kernel ( ) const

inline

Definition at line 163 of file coulomb_inline.hpp.

References impl.

pair_force_kernel()

std::optional< Solver::ShortRangeForceKernel > Coulomb::Solver::pair_force_kernel ( ) const

inline

Definition at line 152 of file coulomb_inline.hpp.

References impl.

pair_pressure_kernel()

std::optional< Solver::ShortRangePressureKernel > Coulomb::Solver::pair_pressure_kernel ( ) const

inline

Definition at line 174 of file coulomb_inline.hpp.

References impl.

sanity_checks()

void Coulomb::Solver::sanity_checks

(

)

const

Definition at line 67 of file coulomb.cpp.

References impl.

Member Data Documentation

impl

std::unique_ptr<Implementation> Coulomb::Solver::impl

Pointer-to-implementation.

Definition at line 43 of file electrostatics/solver.hpp.

Referenced by calc_energy_long_range(), calc_long_range_force(), calc_pressure_long_range(), cutoff(), CoulombP3MHeffte< FloatType, Architecture, FFTConfig >::init_gpu_kernels(), CoulombTuningAlgorithm< FloatType, Architecture, FFTConfig >::layer_correction_veto_r_cut(), on_boxl_change(), on_cell_structure_change(), on_coulomb_change(), on_node_grid_change(), on_observable_calc(), on_periodicity_change(), pair_energy_kernel(), pair_force_elc_kernel(), pair_force_kernel(), pair_pressure_kernel(), sanity_checks(), and Solver().

reinit_on_observable_calc

bool Coulomb::Solver::reinit_on_observable_calc

Whether to reinitialize the solver on observable calculation.

Definition at line 45 of file electrostatics/solver.hpp.

Referenced by on_coulomb_change(), on_observable_calc(), on_particle_change(), and Solver().

---

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

• electrostatics/solver.hpp
• coulomb.cpp
• coulomb_inline.hpp