CuboidMinimumImage Class Reference

Cuboid minimum-image fold parameters for hot pair loops. More...

#include <BoxGeometry.hpp>

Public Member Functions
	CuboidMinimumImage (Utils::Vector3d const &length, Utils::Vector3d const &length_inv_masked)
ESPRESSO_ATTR_ALWAYS_INLINE double	dist2 (Utils::Vector3d const &a, Utils::Vector3d const &b) const
	Squared minimum-image distance between two coordinates.
ESPRESSO_ATTR_ALWAYS_INLINE void	batch_vector_dist2 (double xi, double yi, double zi, int m, double const *sx, double const *sy, double const *sz, double *dx0, double *dx1, double *dx2, double *dsq) const
	Batched minimum-image vector and squared distance: one point (xi, yi, zi) against m others held in the SoA arrays sx / sy / sz.

Detailed Description

Cuboid minimum-image fold parameters for hot pair loops.

Capture an instance by value in a kernel to hoist the box data out of the pair loop: member loads then come from the kernel's own frame and the compiler can keep them in registers, instead of re-reading them through a BoxGeometry reference for every pair. Only valid for cuboid boxes; Lees-Edwards boxes need the full BoxGeometry::get_mi_vector.

Definition at line 107 of file BoxGeometry.hpp.

Constructor & Destructor Documentation

CuboidMinimumImage()

CuboidMinimumImage::CuboidMinimumImage ( Utils::Vector3d const &  length, Utils::Vector3d const &  length_inv_masked  )

inline

Definition at line 112 of file BoxGeometry.hpp.

Member Function Documentation

batch_vector_dist2()

ESPRESSO_ATTR_ALWAYS_INLINE void CuboidMinimumImage::batch_vector_dist2 ( double  xi, double  yi, double  zi, int  m, double const *  sx, double const *  sy, double const *  sz, double *  dx0, double *  dx1, double *  dx2, double *  dsq  ) const

inline

Batched minimum-image vector and squared distance: one point (xi, yi, zi) against m others held in the SoA arrays sx / sy / sz.

Writes the fold vector components to dx0 / dx1 / dx2 and the squared distance to dsq. The loop carries no dependency across the m entries and reads contiguous arrays, so it vectorizes. Each entry is computed as three per-axis detail::get_mi_coord_masked folds followed by Utils::Vector::norm2 (accumulating from zero in component order), so the per-pair results are bitwise-identical to the scalar BoxGeometry::get_mi_vector path for cuboid boxes.

Definition at line 142 of file BoxGeometry.hpp.

References stream.

Referenced by SpecializedForcesKernel< HasCoulomb >::operator()().

dist2()

ESPRESSO_ATTR_ALWAYS_INLINE double CuboidMinimumImage::dist2 ( Utils::Vector3d const &  a, Utils::Vector3d const &  b  ) const

inline

Squared minimum-image distance between two coordinates.

Definition at line 118 of file BoxGeometry.hpp.

References stream.

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The documentation for this class was generated from the following file:

• BoxGeometry.hpp