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Gromacs
2026.0-dev-20251119-5f0a571d
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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... | |
| IVec | pbcDDCoord (const IVec &ddCoord, const IVec &numDDCells) |
| Returns ddCoord with each value within (0, numDDCells[] - 1) by applying modulo. | |
| bool | isMissingALink (const ArrayRef< const int > &links, const gmx_ga2la_t &ga2la) |
| std::vector< bool > | flagClustersForBondcomm (const gmx_domdec_t &dd, const ArrayRef< const int32_t > atinfo, const nonbonded_verlet_t &nbv) |
| Return a list of of bools for grid cells, which tell if a cell has non-local bonded interactions. | |
| void | ddSetAtominfo (ArrayRef< const int > globalAtomIndices, const int atomStart, int atomEnd, t_forcerec *fr) |
| Sets the atom info structures. | |
| IVec | getDomainCommunicationRange (const gmx_domdec_t &dd) |
| Returns the maximum domain communication range, indexed by DD dimension index. | |
| void gmx::anonymous_namespace{haloexchangesetup.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).
1.8.5