Gromacs
2025.0-dev-20241009-5c23d5f
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#include <gromacs/nbnxm/gridsetdata.h>
Working arrays for constructing a grid.
Public Attributes | |
std::vector< int > | numAtomsPerColumn |
Number of atoms for each grid column. | |
std::vector< int > | sortBuffer |
Buffer for sorting integers. | |