Gromacs
2021
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#include <gromacs/nbnxm/opencl/nbnxm_ocl_types.h>
Staging area for temporary data downloaded from the GPU.
The energies/shift forces get downloaded here first, before getting added to the CPU-side aggregate values.
Public Attributes | |
float * | e_lj = nullptr |
LJ energy. | |
float * | e_el = nullptr |
electrostatic energy | |
float3 * | fshift = nullptr |
shift forces | |
float(* | fshift )[3] = nullptr |
float3 buffer with shift forces | |