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List of all members | Public Attributes
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.
 

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