Gromacs
2025-dev-20240812-545ca5b
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#include <gromacs/nbnxm/gridsetdata.h>
Struct that holds grid data that is shared over all grids.
To enable a single coordinate and force array, a single cell range is needed which covers all grids.
Public Attributes | |
gmx::HostVector< int > | cells |
The cell indices for all atoms. | |
gmx::HostVector< int > | atomIndices |
The atom indices for all atoms stored in cell order. | |