gmx::anonymous_namespace{domainpaircomm.cpp} Namespace Reference

Classes
class	GridColumnInfo
	Collection of information for an NBNxM grid column. 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
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...
template<bool doChecksForBondeds>
int	addClusterRangesForGridColumn (const Grid &grid, const int columnIndex, const ZoneCorners &zoneCorners, const DistanceCalculationInfo &dci, const std::vector< bool > &isClusterMissingLinks, FastVector< DomainCommBackward::GridClusterRange > *gridClusterRanges)
	Computes and adds the cluster ranges we will communicatie for grid column columnIndex. More...

Function Documentation

template<bool doChecksForBondeds>

int gmx::anonymous_namespace{domainpaircomm.cpp}::addClusterRangesForGridColumn	(	const Grid &	grid,
		const int	columnIndex,
		const ZoneCorners &	zoneCorners,
		const DistanceCalculationInfo &	dci,
		const std::vector< bool > &	isClusterMissingLinks,
		FastVector< DomainCommBackward::GridClusterRange > *	gridClusterRanges
	)

Computes and adds the cluster ranges we will communicatie for grid column columnIndex.

The cluster ranges are added to columnInfo.

Returns

the number of clusters added

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).