icc.cpp File Reference

Functions to compute the electric field acting on the induced charges, excluding forces other than the electrostatic ones. More...

#include "config/config.hpp"
#include "icc.hpp"
#include "Particle.hpp"
#include "ParticleRange.hpp"
#include "PropagationMode.hpp"
#include "actor/visitors.hpp"
#include "cell_system/CellStructure.hpp"
#include "communication.hpp"
#include "electrostatics/coulomb.hpp"
#include "electrostatics/coulomb_inline.hpp"
#include "electrostatics/p3m.hpp"
#include "errorhandling.hpp"
#include "integrators/Propagation.hpp"
#include "short_range_cabana.hpp"
#include "system/System.hpp"
#include <boost/mpi/collectives/all_reduce.hpp>
#include <boost/mpi/operations.hpp>
#include <Kokkos_Core.hpp>
#include <omp.h>
#include <algorithm>
#include <cmath>
#include <cstddef>
#include <limits>
#include <numbers>
#include <stdexcept>
#include <variant>
#include <vector>

Include dependency graph for icc.cpp:

Go to the source code of this file.

Classes
struct	SanityChecksICC

Functions
static void	force_calc_icc (CellStructure &cell_structure, Coulomb::ShortRangeForceKernel::result_type const &coulomb_kernel, Coulomb::ShortRangeForceCorrectionsKernel::result_type const &elc_kernel)
	Calculate the electrostatic forces between source charges (= real charges) and wall charges.

Detailed Description

Functions to compute the electric field acting on the induced charges, excluding forces other than the electrostatic ones.

Detailed information about the ICC* method is included in the corresponding header file icc.hpp.

Definition in file icc.cpp.

Function Documentation

force_calc_icc()

static void force_calc_icc ( CellStructure &  cell_structure, Coulomb::ShortRangeForceKernel::result_type const &  coulomb_kernel, Coulomb::ShortRangeForceCorrectionsKernel::result_type const &  elc_kernel  )

static

Calculate the electrostatic forces between source charges (= real charges) and wall charges.

For each electrostatic method, the proper functions for short- and long-range parts are called. Long-range parts are calculated directly, short-range parts need helper functions according to the particle data organisation. This is a modified version of System::System::calculate_forces.

Definition at line 73 of file icc.cpp.

References CellStructure::for_each_ghost_particle(), CellStructure::for_each_local_particle(), get_ptr(), CellStructure::non_bonded_loop(), CellStructure::reset_local_force(), and stream.

Referenced by ICCStar::iteration().