Gromacs
2018.8
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#include <gromacs/ewald/pme-gpu-types.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 | |
std::vector< gmx::RVec, gmx::HostAllocator< gmx::RVec > > | h_forces |
Host-side force buffer. | |
float * | h_virialAndEnergy |
Virial and energy intermediate host-side buffer. Size is PME_GPU_VIRIAL_AND_ENERGY_COUNT. | |
float * | h_splineModuli |
B-spline values intermediate host-side buffer. | |
float * | h_theta |
Pointer to the host memory with B-spline values. Only used for host-side gather, or unit tests. | |
float * | h_dtheta |
Pointer to the host memory with B-spline derivative values. Only used for host-side gather, or unit tests. | |
int * | h_gridlineIndices |
Pointer to the host memory with ivec atom gridline indices. Only used for host-side gather, or unit tests. | |