Gromacs  2019-beta2
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PmeGpuDynamicParams Struct Reference

#include <gromacs/ewald/pme-gpu-types.h>


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.

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.

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