ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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#include <icc.hpp>
Public Member Functions | |
ICCStar (icc_data data) | |
void | iteration (CellStructure &cell_structure, ParticleRange const &particles, ParticleRange const &ghost_particles) |
The main iterative scheme, where the surface element charges are calculated self-consistently. | |
void | on_activation () const |
void | sanity_checks_active_solver () const |
void | sanity_check () const |
Public Member Functions inherited from System::Leaf< ICCStar > | |
void | bind_system (std::shared_ptr< System > const &system) |
void | detach_system (std::shared_ptr< System > const &system) |
Public Attributes | |
icc_data | icc_cfg |
ICC parameters. | |
Additional Inherited Members | |
Protected Member Functions inherited from System::Leaf< ICCStar > | |
auto & | get_system () |
auto & | get_system () const |
Protected Attributes inherited from System::Leaf< ICCStar > | |
std::weak_ptr< System > | m_system |
ICCStar::ICCStar | ( | icc_data | data | ) |
Definition at line 237 of file icc.cpp.
References icc_cfg, and icc_data::sanity_checks().
void ICCStar::iteration | ( | CellStructure & | cell_structure, |
ParticleRange const & | particles, | ||
ParticleRange const & | ghost_particles | ||
) |
The main iterative scheme, where the surface element charges are calculated self-consistently.
Definition at line 99 of file icc.cpp.
References icc_data::areas, icc_data::citeration, comm_cart, icc_data::convergence, Cells::DATA_PART_PROPERTIES, icc_data::eps_out, icc_data::epsilons, icc_data::ext_field, icc_data::first_id, force_calc_icc(), System::Leaf< ICCStar >::get_system(), CellStructure::ghosts_reduce_forces(), CellStructure::ghosts_update(), icc_cfg, icc_data::max_iterations, icc_data::n_icc, icc_data::normals, icc_data::relaxation, runtimeErrorMsg, sanity_check(), and icc_data::sigmas.
void ICCStar::on_activation | ( | ) | const |
Definition at line 242 of file icc.cpp.
References System::Leaf< ICCStar >::get_system(), and sanity_check().
void ICCStar::sanity_check | ( | ) | const |
Definition at line 274 of file icc.cpp.
References System::Leaf< ICCStar >::get_system(), INTEG_METHOD_NPT_ISO, and sanity_checks_active_solver().
Referenced by iteration(), and on_activation().
void ICCStar::sanity_checks_active_solver | ( | ) | const |
Definition at line 283 of file icc.cpp.
References System::Leaf< ICCStar >::get_system().
Referenced by sanity_check().
icc_data ICCStar::icc_cfg |