Gromacs
2025.1
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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 |
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 >> columns, int cellOffset, ArrayRef< const int32_t > atomInfo, ArrayRef< const RVec > x, GridSetData *gridSetData, nbnxn_atomdata_t *nbat) | gmx::Grid | |
srcAtomBegin() const | gmx::Grid | inline |
srcAtomEnd() const | gmx::Grid | inline |
zBoundingBoxes() const | gmx::Grid | inline |