Gromacs
2016.6
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#include <gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_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 |
LJ energy. | |
float * | e_el |
electrostatic energy | |
float3 * | fshift |
shift forces | |