ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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#include <solver.hpp>
Classes | |
struct | Implementation |
Public Types | |
using | ShortRangeForceKernel = std::function< ParticleForce(Particle const &, Particle const &, Utils::Vector3d const &, double, double)> |
using | ShortRangeEnergyKernel = std::function< double(Particle const &, Particle const &, Utils::Vector3d const &, double, double)> |
Public Member Functions | |
void | sanity_checks () const |
double | cutoff () const |
void | on_observable_calc () |
void | on_dipoles_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_pressure_long_range () const |
void | calc_long_range_force (ParticleRange const &particles) const |
double | calc_energy_long_range (ParticleRange const &particles) const |
void | calc_long_range_field (ParticleRange const &particles) const |
Solver () | |
std::optional< ShortRangeForceKernel > | pair_force_kernel () const |
std::optional< ShortRangeEnergyKernel > | pair_energy_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. | |
Definition at line 39 of file magnetostatics/solver.hpp.
using Dipoles::Solver::ShortRangeEnergyKernel = std::function<double(Particle const &, Particle const &, Utils::Vector3d const &, double, double)> |
Definition at line 72 of file magnetostatics/solver.hpp.
using Dipoles::Solver::ShortRangeForceKernel = std::function<ParticleForce(Particle const &, Particle const &, Utils::Vector3d const &, double, double)> |
Definition at line 69 of file magnetostatics/solver.hpp.
Dipoles::Solver::Solver | ( | ) |
Definition at line 44 of file dipoles.cpp.
References impl, and reinit_on_observable_calc.
double Dipoles::Solver::calc_energy_long_range | ( | ParticleRange const & | particles | ) | const |
Definition at line 205 of file dipoles.cpp.
References impl.
void Dipoles::Solver::calc_long_range_field | ( | ParticleRange const & | particles | ) | const |
Definition at line 213 of file dipoles.cpp.
References impl.
void Dipoles::Solver::calc_long_range_force | ( | ParticleRange const & | particles | ) | const |
Definition at line 199 of file dipoles.cpp.
References impl.
Referenced by calc_long_range_forces().
void Dipoles::Solver::calc_pressure_long_range | ( | ) | const |
Definition at line 193 of file dipoles.cpp.
References impl, and runtimeWarningMsg.
Referenced by System::System::calculate_pressure().
double Dipoles::Solver::cutoff | ( | ) | const |
Definition at line 90 of file dipoles.cpp.
References impl.
void Dipoles::Solver::on_boxl_change | ( | ) |
Definition at line 64 of file dipoles.cpp.
References impl, and visit_try_catch().
void Dipoles::Solver::on_cell_structure_change | ( | ) |
Definition at line 83 of file dipoles.cpp.
References impl, and visit_try_catch().
void Dipoles::Solver::on_dipoles_change | ( | ) |
Definition at line 57 of file dipoles.cpp.
References impl, reinit_on_observable_calc, and visit_try_catch().
void Dipoles::Solver::on_node_grid_change | ( | ) |
Definition at line 70 of file dipoles.cpp.
References impl.
void Dipoles::Solver::on_observable_calc | ( | ) |
Definition at line 101 of file dipoles.cpp.
References impl, and reinit_on_observable_calc.
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inline |
Definition at line 56 of file magnetostatics/solver.hpp.
References reinit_on_observable_calc.
void Dipoles::Solver::on_periodicity_change | ( | ) |
Definition at line 76 of file dipoles.cpp.
References impl, and visit_try_catch().
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inline |
Definition at line 111 of file dipoles_inline.hpp.
References impl.
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inline |
Definition at line 100 of file dipoles_inline.hpp.
References impl.
void Dipoles::Solver::sanity_checks | ( | ) | const |
Definition at line 51 of file dipoles.cpp.
References impl.
std::unique_ptr<Implementation> Dipoles::Solver::impl |
Pointer-to-implementation.
Definition at line 43 of file magnetostatics/solver.hpp.
Referenced by calc_energy_long_range(), calc_long_range_field(), calc_long_range_force(), calc_pressure_long_range(), cutoff(), on_boxl_change(), on_cell_structure_change(), on_dipoles_change(), on_node_grid_change(), on_observable_calc(), on_periodicity_change(), pair_energy_kernel(), pair_force_kernel(), sanity_checks(), and Solver().
bool Dipoles::Solver::reinit_on_observable_calc |
Whether to reinitialize the solver on observable calculation.
Definition at line 45 of file magnetostatics/solver.hpp.
Referenced by on_dipoles_change(), on_observable_calc(), on_particle_change(), and Solver().