Gromacs
2025-dev-20240812-545ca5b
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#include <gromacs/nbnxm/grid.h>
The cluster and cell geometry of a grid.
Public Member Functions | |
Geometry (PairlistType pairlistType) | |
Constructs the cluster/cell geometry given the type of pairlist. | |
Public Attributes | |
bool | isSimple |
Is this grid simple (CPU) or hierarchical (GPU) | |
int | numAtomsICluster |
Number of atoms per cluster. | |
int | numAtomsJCluster |
Number of atoms for list j-clusters. | |
int | numAtomsPerCell |
Number of atoms per cell. | |
int | numAtomsICluster2Log |
2log of na_c | |