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Gromacs
2026.1
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This is the complete list of members for gmx::Grid, including all inherited members.
| atomIndexEnd() const | gmx::Grid | inline |
| atomIsPerturbed(int clusterIndex, int atomIndexInCluster) const | gmx::Grid | inline |
| atomToCluster(int atomIndex) const | gmx::Grid | inline |
| averageCellSize() const | gmx::Grid | |
| calcColumnIndices(const GridDimensions &gridDims, const UpdateGroupsCog *updateGroupsCog, Range< int > atomRange, ArrayRef< const RVec > x, int dd_zone, const int *move, int thread, int nthread, ArrayRef< int > cell, ArrayRef< int > cxy_na) | gmx::Grid | static |
| cellOffset() const | gmx::Grid | inline |
| clusterFlags() const | gmx::Grid | inline |
| clusterIsPerturbed(int clusterIndex) const | gmx::Grid | inline |
| cxy_ind() const | gmx::Grid | inline |
| cxy_na() const | gmx::Grid | inline |
| ddZone() const | gmx::Grid | inline |
| dimensions() const | gmx::Grid | inline |
| fepBits(int clusterIndex) const | gmx::Grid | inline |
| firstAtomInColumn(int columnIndex) const | gmx::Grid | inline |
| firstCellInColumn(int columnIndex) const | gmx::Grid | inline |
| geometry() const | gmx::Grid | inline |
| Grid(PairlistType pairlistType, int ddZone, const bool &haveFep, PinningPolicy pinningPolicy) | gmx::Grid | |
| iBoundingBoxes() const | gmx::Grid | inline |
| jBoundingBoxes() const | gmx::Grid | inline |
| numAtomsInColumn(int columnIndex) const | gmx::Grid | inline |
| numAtomsPerCell() const | gmx::Grid | inline |
| numCells() const | gmx::Grid | inline |
| numCellsColumnMax() const | gmx::Grid | inline |
| numCellsInColumn(int columnIndex) const | gmx::Grid | inline |
| numClusters() const | gmx::Grid | inline |
| numClustersPerCell() const | gmx::Grid | inline |
| numColumns() const | gmx::Grid | inline |
| packedBoundingBoxes() const | gmx::Grid | inline |
| paddedNumAtomsInColumn(int columnIndex) const | gmx::Grid | inline |
| resizeBoundingBoxesAndFlags(const int maxNumCells) | gmx::Grid | |
| setCellIndices(int ddZone, int cellOffset, GridSetData *gridSetData, ArrayRef< GridWork > gridWork, Range< int > atomRange, ArrayRef< const int32_t > atomInfo, ArrayRef< const RVec > x, nbnxn_atomdata_t *nbat) | gmx::Grid | |
| setDimensions(int ddZone, int numAtomsTotal, int numAtomsWithoutFillers, const RVec &lowerCorner, const RVec &upperCorner, real *atomDensity, real maxAtomGroupRadius) | gmx::Grid | |
| setNonLocalGrid(int ddZone, const GridDimensions &dimensions, ArrayRef< const std::pair< int, int >> clusterRanges, int cellOffset, ArrayRef< const int32_t > atomInfo, ArrayRef< const RVec > x, GridSetData *gridSetData, nbnxn_atomdata_t *nbat) | gmx::Grid | |
| zBoundingBoxes() const | gmx::Grid | inline |
1.8.5