Gromacs  2021.1
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Macros
pme_gpu_staging.h File Reference
#include <vector>
#include "gromacs/gpu_utils/hostallocator.h"
#include "gromacs/math/vectypes.h"
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Description

Defines the host-side PME GPU data structures.

Todo:
Some renaming/refactoring, which does not impair the performance: – bringing the function names up to guidelines – PmeGpuSettings -> PmeGpuTasks – refining GPU notation application (#2053) – renaming coefficients to charges (?)
Author
Aleksei Iupinov a.yup.nosp@m.inov.nosp@m.@gmai.nosp@m.l.co.nosp@m.m
Mark Abraham mark..nosp@m.j.ab.nosp@m.raham.nosp@m.@gma.nosp@m.il.co.nosp@m.m

Macros

#define NUM_STATES   2
 Number of FEP states.