gmx::anonymous_namespace{domainpaircomm.cpp} Namespace Reference

Classes
struct	ZoneCorners
	The upper corners of a zone, used for computing which halo cell need to be sent. More...
struct	DistanceCalculationInfo
	Information for distance calculations between domains. More...
struct	DistancesSquared
	Struct for returning results from distance calculation of corners to bounding boxes. More...

Functions
GridColumnInfo	nbnxmGetLocalGridColumn (const Grid &grid, const int columnIndex)
	Returns information on a column of the local grid.
template<typename T >
void	ddSendReceive (const DomainCommBackward &domainCommBackward, const DomainCommForward &domainCommForward, const int direction, const T *sendBuffer, const int numElementsToSend, T *receiveBuffer, const int numElementsToReceive, const HaloMpiTag tag)
	Move data of type T forward or backward between zones. More...
DistancesSquared	cornerToBoundingBoxDistanceRectangular (const DistanceCalculationInfo &dci, const RVec &cornerTwoBody, const RVec &cornerMultiBody, const BoundingBox &bb)
	Returns the squared distances for non-bonded and bonded interactions of a bounding box to zone corners.
DistancesSquared	cornerToBoundingBoxDistanceTrilinic (const DistanceCalculationInfo &dci, const RVec &cornerTwoBody, const RVec &cornerMultiBody, const BoundingBox &bb)
	Returns the squared distances for non-bonded and bonded interactions of a bounding box to zone corners.
DistancesSquared	cornerToBoundingBoxDistance (const DistanceCalculationInfo &dci, const RVec &cornerTwoBody, const RVec &cornerMultiBody, const BoundingBox &bb)
	Wrapper function for corner - bounding-box distance calculation. More...
ZoneCorners	getZoneCorners (const gmx_domdec_t &dd, const matrix box, const int zone, const real maxAtomGroupRadius)
	Determines the corner for 2-body, corner_2b, and multi-body, corner_mb, communication distances.
template<bool doChecksForBondeds>
Range< int >	getCellRangeForGridColumn (const Grid &grid, const int columnIndex, const ZoneCorners &zoneCorners, const DistanceCalculationInfo &dci, const std::vector< bool > &isCellMissingLinks)
	Computes and sets the cell range we will communicatie for grid column columnIndex.

Function Documentation

DistancesSquared gmx::anonymous_namespace{domainpaircomm.cpp}::cornerToBoundingBoxDistance	(	const DistanceCalculationInfo &	dci,
		const RVec &	cornerTwoBody,
		const RVec &	cornerMultiBody,
		const BoundingBox &	bb
	)

Wrapper function for corner - bounding-box distance calculation.

Only splits triclinic vs non-triclinic distance calculations.

template<typename T >

void gmx::anonymous_namespace{domainpaircomm.cpp}::ddSendReceive	(	const DomainCommBackward &	domainCommBackward,
		const DomainCommForward &	domainCommForward,
		const int	direction,
		const T *	sendBuffer,
		const int	numElementsToSend,
		T *	receiveBuffer,
		const int	numElementsToReceive,
		const HaloMpiTag	tag
	)

Move data of type T forward or backward between zones.

Moves in the dimension indexed by ddDimensionIndex, either forward (direction=dddirFoward) or backward (direction=dddirBackward).