ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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#include "config/config.hpp"
#include "magnetostatics/dlc.hpp"
#include "magnetostatics/dipolar_direct_sum.hpp"
#include "magnetostatics/dipoles.hpp"
#include "magnetostatics/dp3m.hpp"
#include "p3m/common.hpp"
#include "BoxGeometry.hpp"
#include "Particle.hpp"
#include "cell_system/CellStructure.hpp"
#include "communication.hpp"
#include "errorhandling.hpp"
#include "system/System.hpp"
#include <utils/math/sqr.hpp>
#include <boost/mpi/collectives/all_reduce.hpp>
#include <boost/mpi/collectives/reduce.hpp>
#include <boost/mpi/operations.hpp>
#include <mpi.h>
#include <algorithm>
#include <cassert>
#include <cmath>
#include <cstdio>
#include <functional>
#include <numbers>
#include <numeric>
#include <stdexcept>
#include <variant>
#include <vector>
Go to the source code of this file.
Classes | |
struct | AdaptSolver |
Lock an actor and modify its parameters. More... | |
Functions | |
static double | calc_mu_max (System::System const &system) |
Calculate the maximal dipole moment in the system. | |
static double | g1_DLC_dip (double g, double x) |
static double | g2_DLC_dip (double g, double x) |
static Utils::Vector3d | calc_slab_dipole (ParticleRange const &particles) |
Compute the box magnetic dipole. | |
static void | dipolar_force_corrections (int kcut, std::vector< Utils::Vector3d > &fs, std::vector< Utils::Vector3d > &ts, ParticleRange const &particles, BoxGeometry const &box_geo) |
Compute the dipolar force and torque corrections. | |
static double | dipolar_energy_correction (int kcut, ParticleRange const &particles, BoxGeometry const &box_geo) |
Compute the dipolar DLC energy correction. | |
static int | count_magnetic_particles (System::System const &system) |
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Calculate the maximal dipole moment in the system.
Definition at line 70 of file dlc.cpp.
References System::System::cell_structure, and comm_cart.
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Compute the box magnetic dipole.
Definition at line 95 of file dlc.cpp.
References Particle::calc_dip(), comm_cart, and Particle::dipm().
Referenced by DipolarLayerCorrection::add_force_corrections(), and DipolarLayerCorrection::energy_correction().
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Definition at line 398 of file dlc.cpp.
References System::System::cell_structure, comm_cart, and Particle::dipm().
Referenced by DipolarP3MImpl< FloatType, Architecture >::init_cpu_kernels(), and DipolarP3MImpl< FloatType, Architecture >::tune().
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Compute the dipolar DLC energy correction.
Algorithm implemented accordingly to [8].
Definition at line 247 of file dlc.cpp.
References Particle::calc_dip(), comm_cart, Particle::dipm(), BoxGeometry::length(), BoxGeometry::length_inv(), Particle::pos(), and this_node.
Referenced by DipolarLayerCorrection::energy_correction().
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Compute the dipolar force and torque corrections.
Algorithm implemented accordingly to [8].
Definition at line 111 of file dlc.cpp.
References Particle::calc_dip(), comm_cart, Particle::dipm(), BoxGeometry::length(), BoxGeometry::length_inv(), Particle::pos(), ParticleRange::size(), and vector_product().
Referenced by DipolarLayerCorrection::add_force_corrections().