PmeGpuDynamicParams Struct Reference

#include <gromacs/ewald/pme_gpu_types.h>

Description

A GPU data structure for storing the PME data which might change for each new PME computation.

Public Attributes
float	recipBox [DIM][DIM]
	Reciprocal (inverted unit cell) box. More...
float	boxVolume
	The unit cell volume for solving.
float	scale
	The current coefficient scaling value.

Member Data Documentation

float PmeGpuDynamicParams::recipBox[DIM][DIM]

Reciprocal (inverted unit cell) box.

The box is transposed as compared to the CPU pme->recipbox. Basically, spread uses matrix columns (while solve and gather use rows). This storage format might be not the most optimal since the box is always triangular so there are zeroes.

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

• src/gromacs/ewald/pme_gpu_types.h