Gromacs
2022.2
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#include <gromacs/mdlib/updategroups.h>
Owns the update grouping and related data.
Public Member Functions | |
UpdateGroups ()=default | |
Default constructor. | |
UpdateGroups (std::vector< RangePartitioning > &&updateGroupingPerMoleculeType, real maxUpdateGroupRadius) | |
Constructor when update groups are active. | |
bool | useUpdateGroups () const |
real | maxUpdateGroupRadius () const |
ArrayRef< const RangePartitioning > | updateGroupingPerMoleculeType () const |