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gmx::DomainDecompositionBuilder::Impl Class Reference
+ Collaboration diagram for gmx::DomainDecompositionBuilder::Impl:


Impl class for DD builder.

Public Member Functions

 Impl (const MDLogger &mdlog, t_commrec *cr, const DomdecOptions &options, const MdrunOptions &mdrunOptions, const gmx_mtop_t &mtop, const t_inputrec &ir, const MDModulesNotifiers &notifiers, 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)
gmx_domdec_t * build (LocalAtomSetManager *atomSets, const gmx_localtop_t &localTopology, const t_state &localState, ObservablesReducerBuilder *observablesReducerBuilder)
 Build the resulting DD manager.

Public Attributes

const MDLoggermdlog_
 Objects used in constructing and configuring DD { Logging object.
t_commrec * cr_
 Communication 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 MDModulesNotifiersnotifiers_
 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_
 Organzation of the DD ranks.
ivec ddCellIndex_ = { 0, 0, 0 }
 Number of DD cells in each dimension.
std::vector< int > pmeRanks_
 IDs of PME-only ranks.
CartesianRankSetup cartSetup_
 Contains a valid Cartesian-communicator-based setup, or defaults.

Member Data Documentation

DDSettings gmx::DomainDecompositionBuilder::Impl::ddSettings_


Internal objects used in constructing DD { Settings combined from the user input

The documentation for this class was generated from the following file: