Gromacs
2022.1
|
This is the complete list of members for Nbnxm::Grid, including all inherited members.
atomIndexEnd() const | Nbnxm::Grid | inline |
atomIsPerturbed(int clusterIndex, int atomIndexInCluster) const | Nbnxm::Grid | inline |
atomToCluster(int atomIndex) const | Nbnxm::Grid | inline |
calcColumnIndices(const Grid::Dimensions &gridDims, const gmx::UpdateGroupsCog *updateGroupsCog, gmx::Range< int > atomRange, gmx::ArrayRef< const gmx::RVec > x, int dd_zone, const int *move, int thread, int nthread, gmx::ArrayRef< int > cell, gmx::ArrayRef< int > cxy_na) | Nbnxm::Grid | static |
cellOffset() const | Nbnxm::Grid | inline |
clusterFlags() const | Nbnxm::Grid | inline |
clusterIsPerturbed(int clusterIndex) const | Nbnxm::Grid | inline |
cxy_ind() const | Nbnxm::Grid | inline |
cxy_na() const | Nbnxm::Grid | inline |
dimensions() const | Nbnxm::Grid | inline |
fepBits(int clusterIndex) const | Nbnxm::Grid | inline |
firstAtomInColumn(int columnIndex) const | Nbnxm::Grid | inline |
firstCellInColumn(int columnIndex) const | Nbnxm::Grid | inline |
geometry() const | Nbnxm::Grid | inline |
Grid(PairlistType pairlistType, const bool &haveFep) | Nbnxm::Grid | |
iBoundingBoxes() const | Nbnxm::Grid | inline |
jBoundingBoxes() const | Nbnxm::Grid | inline |
numAtomsInColumn(int columnIndex) const | Nbnxm::Grid | inline |
numAtomsPerCell() const | Nbnxm::Grid | inline |
numCells() const | Nbnxm::Grid | inline |
numCellsColumnMax() const | Nbnxm::Grid | inline |
numCellsInColumn(int columnIndex) const | Nbnxm::Grid | inline |
numClusters() const | Nbnxm::Grid | inline |
numClustersPerCell() const | Nbnxm::Grid | inline |
numColumns() const | Nbnxm::Grid | inline |
packedBoundingBoxes() const | Nbnxm::Grid | inline |
paddedNumAtomsInColumn(int columnIndex) const | Nbnxm::Grid | inline |
setCellIndices(int ddZone, int cellOffset, GridSetData *gridSetData, gmx::ArrayRef< GridWork > gridWork, gmx::Range< int > atomRange, gmx::ArrayRef< const int64_t > atomInfo, gmx::ArrayRef< const gmx::RVec > x, int numAtomsMoved, nbnxn_atomdata_t *nbat) | Nbnxm::Grid | |
setDimensions(int ddZone, int numAtoms, gmx::RVec lowerCorner, gmx::RVec upperCorner, real atomDensity, real maxAtomGroupRadius, bool haveFep, gmx::PinningPolicy pinningPolicy) | Nbnxm::Grid | |
srcAtomBegin() const | Nbnxm::Grid | inline |
srcAtomEnd() const | Nbnxm::Grid | inline |
zBoundingBoxes() const | Nbnxm::Grid | inline |