ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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#include <scafacos_impl.hpp>
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< System > | m_system |
Definition at line 38 of file electrostatics/scafacos_impl.hpp.
Definition at line 40 of file electrostatics/scafacos_impl.hpp.
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inlineoverridevirtual |
Implements ScafacosContextBase.
Definition at line 53 of file electrostatics/scafacos_impl.hpp.
References update_particle_data(), and update_particle_forces().
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inlineoverridevirtual |
Implements CoulombScafacos.
Definition at line 71 of file electrostatics/scafacos_impl.hpp.
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inlineoverridevirtual |
Implements CoulombScafacos.
Definition at line 63 of file electrostatics/scafacos_impl.hpp.
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inlineoverridevirtual |
Implements CoulombScafacos.
Definition at line 59 of file electrostatics/scafacos_impl.hpp.
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inlineoverridevirtual |
Implements CoulombScafacos.
Definition at line 75 of file electrostatics/scafacos_impl.hpp.
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inlineoverridevirtual |
Implements ScafacosContextBase.
Definition at line 47 of file electrostatics/scafacos_impl.hpp.
References Coulomb::Actor< CoulombScafacos >::prefactor, and update_particle_data().
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inlineoverridevirtual |
Implements CoulombScafacos.
Definition at line 67 of file electrostatics/scafacos_impl.hpp.
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overrideprivatevirtual |
Implements CoulombScafacos.
Definition at line 134 of file electrostatics/scafacos_impl.cpp.
References System::Leaf< Class >::get_system(), and update_particle_data().
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overridevirtual |
Implements ScafacosContextBase.
Definition at line 52 of file electrostatics/scafacos_impl.cpp.
References System::Leaf< Class >::get_system().
Referenced by add_long_range_forces(), long_range_energy(), and tune_impl().
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overridevirtual |
Implements ScafacosContextBase.
Definition at line 69 of file electrostatics/scafacos_impl.cpp.
References System::Leaf< Class >::get_system(), and Coulomb::Actor< CoulombScafacos >::prefactor.
Referenced by add_long_range_forces().