Gromacs
2021.1
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#include <gromacs/nbnxm/pairlist.h>
Struct for storing the atom-pair interaction bits for a cluster pair in a GPU pairlist.
Public Member Functions | |
nbnxn_excl_t () | |
Constructor, sets no exclusions, so all atom pairs interacting. | |
Public Attributes | |
unsigned int | pair [c_nbnxnGpuExclSize] |
Topology exclusion interaction bits per warp. | |