ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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CoulombScafacosImpl Struct Reference

#include <scafacos_impl.hpp>

+ Inheritance diagram for CoulombScafacosImpl:
+ Collaboration diagram for CoulombScafacosImpl:

Public Types

using ScafacosContext = ScafacosContext<::Scafacos::Coulomb >
 

Public Member Functions

void update_particle_data () override
 
void update_particle_forces () const override
 
double long_range_energy () override
 
void add_long_range_forces () override
 
double get_pair_force (double dist) const override
 
double get_pair_energy (double dist) const override
 
void set_near_field_delegation (bool delegate) override
 
bool get_near_field_delegation () const override
 
double get_r_cut () const override
 
- Public Member Functions inherited from CoulombScafacos
 ~CoulombScafacos () override=default
 
void on_activation ()
 
void on_boxl_change ()
 Recalculate all box-length-dependent parameters.
 
void on_node_grid_change () const
 
void on_periodicity_change ()
 
void on_cell_structure_change () const
 
void init () const
 
void sanity_checks () const override
 
bool is_tuned () const
 
void tune ()
 
Utils::Vector3d pair_force (double q1q2, Utils::Vector3d const &d, double dist) const
 Calculate near-field pair force.
 
double pair_energy (double q1q2, double dist) const
 Calculate near-field pair energy.
 
- Public Member Functions inherited from ScafacosContextBase
 ScafacosContextBase ()=default
 
virtual ~ScafacosContextBase ()=default
 
- Public Member Functions inherited from Coulomb::Actor< CoulombScafacos >
void set_prefactor (double new_prefactor)
 
void sanity_checks_charge_neutrality () const
 
- 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 Member Functions inherited from ScafacosContext< ScafacosInterface >
void update_system_params () override
 
std::string get_method () const override
 
std::string get_parameters () const override
 
 ScafacosContextBase ()=default
 

Private Member Functions

void tune_impl () override
 

Additional Inherited Members

- Static Public Member Functions inherited from ScafacosContextBase
static std::vector< std::string > available_methods ()
 
static void sanity_check_method (std::string const &method_name)
 
- Public Attributes inherited from Coulomb::Actor< CoulombScafacos >
double prefactor
 Electrostatics prefactor.
 
double charge_neutrality_tolerance
 Relative tolerance for the charge excess during neutrality checks.
 
- Static Public Attributes inherited from Coulomb::Actor< CoulombScafacos >
static auto constexpr charge_neutrality_tolerance_default
 
- Protected Member Functions inherited from System::Leaf< Class >
auto & get_system ()
 
auto & get_system () const
 
- Protected Attributes inherited from System::Leaf< Class >
std::weak_ptr< Systemm_system
 

Detailed Description

Definition at line 38 of file electrostatics/scafacos_impl.hpp.

Member Typedef Documentation

◆ ScafacosContext

Member Function Documentation

◆ add_long_range_forces()

void CoulombScafacosImpl::add_long_range_forces ( )
inlineoverridevirtual

◆ get_near_field_delegation()

bool CoulombScafacosImpl::get_near_field_delegation ( ) const
inlineoverridevirtual

Implements CoulombScafacos.

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

◆ get_pair_energy()

double CoulombScafacosImpl::get_pair_energy ( double  dist) const
inlineoverridevirtual

Implements CoulombScafacos.

Definition at line 63 of file electrostatics/scafacos_impl.hpp.

◆ get_pair_force()

double CoulombScafacosImpl::get_pair_force ( double  dist) const
inlineoverridevirtual

Implements CoulombScafacos.

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

◆ get_r_cut()

double CoulombScafacosImpl::get_r_cut ( ) const
inlineoverridevirtual

Implements CoulombScafacos.

Definition at line 75 of file electrostatics/scafacos_impl.hpp.

◆ long_range_energy()

double CoulombScafacosImpl::long_range_energy ( )
inlineoverridevirtual

◆ set_near_field_delegation()

void CoulombScafacosImpl::set_near_field_delegation ( bool  delegate)
inlineoverridevirtual

Implements CoulombScafacos.

Definition at line 67 of file electrostatics/scafacos_impl.hpp.

◆ tune_impl()

void CoulombScafacosImpl::tune_impl ( )
overrideprivatevirtual

◆ update_particle_data()

void CoulombScafacosImpl::update_particle_data ( )
overridevirtual

◆ update_particle_forces()

void CoulombScafacosImpl::update_particle_forces ( ) const
overridevirtual

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