Collaboration diagram for gmx::DomainDecompositionBuilder::Impl:

Description

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)
	Constructor.

std::unique_ptr< 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 MDLogger &	mdlog_
	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 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_
	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: