Gromacs
2025-dev-20240812-545ca5b
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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 | |
MSVC_DIAGNOSTIC_IGNORE (26495) nbnxn_excl_t() | |
Constructor, sets no exclusions, so all atom pairs interacting. | |
bool | operator== (const nbnxn_excl_t &other) const |
Check if two instances are the same. | |
Public Attributes | |
MSVC_DIAGNOSTIC_RESET unsigned int | pair [c_nbnxnGpuExclSize] |
Topology exclusion interaction bits per warp. | |