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Gromacs
2026.0-dev-20251105-11eb1db
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#include <gromacs/nbnxm/pairlistwork.h>
Collaboration diagram for gmx::NbnxmPairlistCpuWork:Working data for the actual i-supercell during pair search.
Classes | |
| struct | IClusterData |
| Struct for storing coordinates and bounding box for an i-entry during search. More... | |
Public Member Functions | |
| NbnxmPairlistCpuWork (const int iClusterSize) | |
Public Attributes | |
| gmx_cache_protect_t | cp0 |
| Protect data from cache pollution between threads. | |
| IClusterData | iClusterData |
| Work data for generating an IEntry in the pairlist. | |
| std::vector< nbnxn_cj_t > | cj |
| Temporary j-cluster list, used for sorting on exclusions. | |
| int | ncj_noq = 0 |
| Nr. of cluster pairs without Coulomb for flop counting. | |
| int | ncj_hlj = 0 |
| Nr. of cluster pairs with 1/2 LJ for flop count. | |
| gmx_cache_protect_t | cp1 |
| Protect data from cache pollution between threads. | |
1.8.5