Implements the DomainPairComm, DomainCommBackward and DomainCommForward classes.
- Author
- Berk Hess hess@.nosp@m.kth..nosp@m.se
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GridColumnInfo | gmx::anonymous_namespace{domainpaircomm.cpp}::nbnxmGetLocalGridColumn (const Grid &grid, const int columnIndex) |
| Returns information on a column of the local grid.
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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. More...
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DistancesSquared | gmx::anonymous_namespace{domainpaircomm.cpp}::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.
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DistancesSquared | gmx::anonymous_namespace{domainpaircomm.cpp}::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.
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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. More...
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ZoneCorners | gmx::anonymous_namespace{domainpaircomm.cpp}::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.
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template<bool doChecksForBondeds> |
Range< int > | gmx::anonymous_namespace{domainpaircomm.cpp}::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 .
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