SolveKernelParams Struct Reference

#include <gromacs/ewald/pme_solve_sycl.h>

Collaboration diagram for SolveKernelParams:

Description

Contains most of the parameters used by the solve kernel.

Public Attributes
float	ewaldFactor
	Ewald solving factor = (M_PI / pme->ewaldcoeff_q)^2.
gmx::IVec	realGridSize
	Real-space grid data dimensions.
gmx::IVec	complexGridSize
	Fourier grid dimensions. This counts the complex numbers!
gmx::IVec	kOffsets
	Offsets for the complex grid.
gmx::IVec	complexGridSizePadded
	Fourier grid dimensions (padded). This counts the complex numbers!
gmx::IVec	splineValuesOffset
	Offsets for X/Y/Z components of d_splineModuli.
gmx::RVec	recipBox [DIM]
	Reciprocal (inverted unit cell) box.
float	boxVolume
	The unit cell volume for solving.
float	elFactor
	Electrostatics coefficient = c_one4PiEps0 / pme->epsilon_r.

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

• src/gromacs/ewald/pme_solve_sycl.h