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Gromacs
2026.1
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Collaboration diagram for gmx::anonymous_namespace{domainpaircomm.cpp}::GridColumnInfo:Collection of information for an NBNxM grid column.
Public Member Functions | |
| GridColumnInfo (const Grid &grid, int columnIndex) | |
| Returns information on a column of the local grid. More... | |
| BoundingBox | clusterBB (const int cluster) const |
Returns the bounding box of the cluster with local index cluster in this column. | |
Public Attributes | |
| BoundingBox | columnBB_ |
| The bounding box of the column. | |
| int | numClusters_ |
| The number of clusters in this column. | |
| gmx::anonymous_namespace{domainpaircomm.cpp}::GridColumnInfo::GridColumnInfo | ( | const Grid & | grid, |
| int | columnIndex | ||
| ) |
Returns information on a column of the local grid.
Note that the column bounding boxes are computed for the centers of update groups. Atoms in update groups can stick out by at most grid.dimensions().maxAtomGroupRadius.
1.8.5