Use DeviceBuffer in GPU update and NBNXM code
... instead of raw device pointers and DeviceBuffer<float3>
.
We try to use DeviceBuffer<Float3>
, but in some places we have to use
DeviceVector<gmx::RVec>
, until we can define FloatN
types without
including any backend-specific headers. Currently, Float3
is defined as
gmx::RVec
, so this should not cause any issues.
Also added some helper functions to convert RVec ̌<-> Float3 <-> float3.
Preparation for #3932 (closed) and #3941 (closed).
Edited by Andrey Alekseenko