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Gromacs
2026.0
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Collaboration diagram for gmx::DomainDecompositionBuilder::Impl:Impl class for DD builder.
Public Member Functions | |
| Impl (const MDLogger &mdlog, const MpiComm &mpiCommSimulation, const DomdecOptions &options, const MdrunOptions &mdrunOptions, const gmx_mtop_t &mtop, const t_inputrec &ir, const MDModulesNotifiers ¬ifiers, const matrix box, ArrayRef< const RangePartitioning > updateGroupingPerMoleculeType, bool useUpdateGroups, real maxUpdateGroupRadius, ArrayRef< const RVec > xGlobal, bool useGpuForNonbonded, bool useGpuForPme, bool useGpuForUpdate, bool useGpuDirectHalo, bool canUseGpuPmeDecomposition) | |
| Constructor. | |
| std::unique_ptr< gmx_domdec_t > | build (LocalAtomSetManager *atomSets, bool haveFillerParticlesInLocalState, ObservablesReducerBuilder *observablesReducerBuilder) |
| Build the resulting DD manager. | |
Public Attributes | |
| const MDLogger & | mdlog_ |
| Objects used in constructing and configuring DD { Logging object. | |
| const DomdecOptions | options_ |
| User-supplied options configuring DD behavior. | |
| const gmx_mtop_t & | mtop_ |
| Global system topology. | |
| const t_inputrec & | ir_ |
| User input values from the tpr file. | |
| const MDModulesNotifiers & | notifiers_ |
| MdModules object. | |
| DDSettings | ddSettings_ |
| } More... | |
| DDSystemInfo | systemInfo_ |
| Information derived from the simulation system. | |
| gmx_ddbox_t | ddbox_ = { 0 } |
| Box structure. | |
| DDGridSetup | ddGridSetup_ |
| Organization of the DD grids. | |
| DDRankSetup | ddRankSetup_ |
| Organization of the DD ranks. | |
| CommSetup | commSetup_ |
| The communication setup for the domain decomposition, both PP and PME. | |
| DDSettings gmx::DomainDecompositionBuilder::Impl::ddSettings_ |
}
Internal objects used in constructing DD { Settings combined from the user input
1.8.5