common.hpp File Reference

Common functions for dipolar and charge P3M. More...

#include "config/config.hpp"
#include <utils/Vector.hpp>
#include <algorithm>
#include <array>
#include <vector>
#include "LocalBox.hpp"
#include <cstddef>
#include <span>
#include <stdexcept>

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Classes
struct	P3MParameters
	Structure to hold P3M parameters and some dependent variables. More...
struct	P3MLocalMesh
	Properties of the local mesh. More...
struct	P3MFFTMesh< FloatType >
	Local mesh FFT buffers. More...

Enumerations
enum class	Arch { CPU , GPU }
	P3M kernel architecture. More...

Functions
std::array< std::vector< int >, 3 >	calc_p3m_mesh_shift (Utils::Vector3i const &mesh_size, bool zero_out_midpoint=false)
	Calculate indices that shift P3MParameters::mesh by mesh/2.

Variables
auto constexpr	P3M_EPSILON_METALLIC = 0.0
	This value indicates metallic boundary conditions.

Detailed Description

Common functions for dipolar and charge P3M.

We use here a P3M (Particle-Particle Particle-Mesh) method based on the Ewald summation. Details of the used method can be found in [22] and [10] [11]. The file p3m contains only the Particle-Mesh part.

Further reading: [18], [22], [10], [11], [12], [13], [9]

Definition in file p3m/common.hpp.

Enumeration Type Documentation

Arch

enum class Arch

strong

P3M kernel architecture.

Enumerator
CPU
GPU

Definition at line 57 of file p3m/common.hpp.

Function Documentation

calc_p3m_mesh_shift()

std::array< std::vector< int >, 3 > calc_p3m_mesh_shift ( Utils::Vector3i const &  mesh_size, bool  zero_out_midpoint = false  )

inline

Calculate indices that shift P3MParameters::mesh by mesh/2.

For each mesh size \( n \) in mesh_size, create a sequence of integer values \( \left( 0, \ldots, \lfloor n/2 \rfloor, -\lfloor n/2 \rfloor, \ldots, -1\right) \) if zero_out_midpoint is false, otherwise \( \left( 0, \ldots, \lfloor n/2 - 1 \rfloor, 0, -\lfloor n/2 \rfloor, \ldots, -1\right) \).

Definition at line 248 of file p3m/common.hpp.

Referenced by p3m_data_struct< FloatType >::calc_differential_operator(), grid_influence_function(), grid_influence_function(), and grid_influence_function_self_energy().

Variable Documentation

P3M_EPSILON_METALLIC

auto constexpr P3M_EPSILON_METALLIC = 0.0

constexpr

This value indicates metallic boundary conditions.

Definition at line 46 of file p3m/common.hpp.

Referenced by CoulombP3MImpl< FloatType, Architecture >::adapt_epsilon_elc(), DipolarLayerCorrection::adapt_solver(), DipolarLayerCorrection::add_force_corrections(), DipolarLayerCorrection::energy_correction(), CoulombP3MImpl< FloatType, Architecture >::long_range_kernel(), DipolarP3MImpl< FloatType, Architecture >::long_range_kernel(), AdaptSolver::operator()(), and CoulombP3M::sanity_checks_boxl().