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Gromacs
2025.3
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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 |
1.8.5