math.hpp File Reference

#include <utils/device_qualifier.hpp>
#include <utils/math/sqr.hpp>
#include <cmath>
#include <numbers>
#include <stdexcept>
#include <string>

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Namespaces
namespace	math

Macros
#define	P3M_BRILLOUIN   0
	P3M: Number of Brillouin zones taken into account in the calculation of the optimal influence function (aliasing sums).
#define	USE_ERFC_APPROXIMATION   1
	Whether to use the Abramowitz/Stegun approximation [1] Utils::AS_erfc_part() for \(\exp(d^2) \mathrm{erfc}(d)\), or the C function std::erfc() in P3M.

Functions
DEVICE_QUALIFIER auto	math::abs (double x)
	Return the absolute value of x.
DEVICE_QUALIFIER auto	math::abs (float x)
	Return the absolute value of x.
template<typename T >
DEVICE_QUALIFIER auto	math::sinc (T x)
	Calculate the function \( \mathrm{sinc}(x) = \sin(\pi x)/(\pi x) \).
template<int cao>
DEVICE_QUALIFIER auto	math::analytic_cotangent_sum (int n, double mesh_i)
	One of the aliasing sums used to compute k-space errors.
auto	math::get_analytic_cotangent_sum_kernel (int cao)

Variables
constexpr int	p3m_min_cao = 1
	Minimal charge assignment order.
constexpr int	p3m_max_cao = 7
	Maximal charge assignment order.

Macro Definition Documentation

P3M_BRILLOUIN

#define P3M_BRILLOUIN   0

P3M: Number of Brillouin zones taken into account in the calculation of the optimal influence function (aliasing sums).

Definition at line 38 of file math.hpp.

USE_ERFC_APPROXIMATION

#define USE_ERFC_APPROXIMATION   1

Whether to use the Abramowitz/Stegun approximation [1] Utils::AS_erfc_part() for \(\exp(d^2) \mathrm{erfc}(d)\), or the C function std::erfc() in P3M.

Definition at line 45 of file math.hpp.

Variable Documentation

p3m_max_cao

constexpr int p3m_max_cao = 7

inlineconstexpr

Maximal charge assignment order.

Definition at line 50 of file math.hpp.

Referenced by math::analytic_cotangent_sum(), TuningAlgorithm::determine_cao_limits(), CoulombP3MHeffte< FloatType, Architecture, FFTConfig >::init_cpu_kernels(), DipolarP3MHeffte< FloatType, Architecture, FFTConfig >::init_cpu_kernels(), and DipolarP3MHeffte< FloatType, Architecture, FFTConfig >::long_range_kernel().

p3m_min_cao

constexpr int p3m_min_cao = 1

inlineconstexpr

Minimal charge assignment order.

Definition at line 48 of file math.hpp.

Referenced by math::analytic_cotangent_sum(), TuningAlgorithm::determine_cao_limits(), CoulombP3MHeffte< FloatType, Architecture, FFTConfig >::init_cpu_kernels(), DipolarP3MHeffte< FloatType, Architecture, FFTConfig >::init_cpu_kernels(), and DipolarP3MHeffte< FloatType, Architecture, FFTConfig >::long_range_kernel().