Gromacs
2025-dev-20241002-88a4191
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#include <gromacs/ewald/pme_gpu_staging.h>
The PME GPU intermediate buffers structure, included in the main PME GPU structure by value. Buffers are managed by the PME GPU module.
Public Attributes | |
gmx::PaddedHostVector< gmx::RVec > | h_forces |
Host-side force buffer. | |
std::array< gmx::HostVector < float >, sc_numFepStates > | h_virialAndEnergy |
Virial and energy intermediate host-side buffer. Size is PME_GPU_VIRIAL_AND_ENERGY_COUNT. | |
std::array< gmx::HostVector < float >, sc_numFepStates > | h_splineModuli |
B-spline values intermediate host-side buffer. | |
gmx::HostVector< float > | h_theta |
Pointer to the host memory with B-spline values. Only used for host-side gather, or unit tests. | |
gmx::HostVector< float > | h_dtheta |
Pointer to the host memory with B-spline derivative values. Only used for host-side gather, or unit tests. | |
gmx::HostVector< int > | h_gridlineIndices |
Pointer to the host memory with ivec atom gridline indices. Only used for host-side gather, or unit tests. | |