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Gromacs
2026.0-dev-20251109-f20ba35
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#include <gromacs/ewald/pme_gpu_staging.h>
Collaboration diagram for PmeGpuStaging: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. | |
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std::array< gmx::HostVector < float >, sc_numFepStates > | h_virialAndEnergy |
| Virial and energy intermediate host-side buffer. Size is PME_GPU_VIRIAL_AND_ENERGY_COUNT. | |
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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. | |
1.8.5