| addRequiredCells(const std::array< unsigned, 3 > &celn, unsigned &ncells_required, std::vector< unsigned > &cells_required, bool usePbc=true) const | PLMD::LinkCells | |
| allcells | PLMD::LinkCells | private |
| buildCellLists(View< const Vector > pos, View< const unsigned > indices, const Pbc &pbc) | PLMD::LinkCells | |
| buildCellLists(const T &pos, const Y &indices, const Pbc &pbc) | PLMD::LinkCells | inline |
| comm | PLMD::LinkCells | private |
| convertIndicesToIndex(std::array< unsigned, 3 > cellCoord) const | PLMD::LinkCells | |
| createNeighborList(unsigned nat, View< const Vector > pos, View< const unsigned > ind, View< const unsigned > tind, View< const Vector > neigh_pos, View< const unsigned > neigh_ind, const Pbc &pbc, unsigned &natoms_per_list, std::vector< std::size_t > &nlist) | PLMD::LinkCells | |
| cutoffwasset | PLMD::LinkCells | private |
| enabled() const | PLMD::LinkCells | inline |
| findCell(const Vector &pos) const | PLMD::LinkCells | |
| findMyCell(Vector pos) const | PLMD::LinkCells | |
| findMyCell(unsigned cellIndex) const | PLMD::LinkCells | |
| getCellLimits() const | PLMD::LinkCells | inline |
| getCollection(View< const Vector > pos, View< const unsigned > indices) | PLMD::LinkCells | |
| getCollection(const T &pos, const Y &indices) | PLMD::LinkCells | inline |
| getCutoff() const | PLMD::LinkCells | |
| getMaxInCell() const | PLMD::LinkCells | |
| getNumberOfCells() const | PLMD::LinkCells | inline |
| innerCollection | PLMD::LinkCells | private |
| link_cutoff | PLMD::LinkCells | private |
| LinkCells(Communicator &comm) | PLMD::LinkCells | explicit |
| mypbc | PLMD::LinkCells | private |
| ncells | PLMD::LinkCells | private |
| nopbc | PLMD::LinkCells | private |
| nstride | PLMD::LinkCells | private |
| origin | PLMD::LinkCells | private |
| resetCollection(CellCollection &collection, View< const Vector > pos, View< const unsigned > indices) | PLMD::LinkCells | |
| retrieveAtomsInCells(unsigned ncells_required, View< const unsigned > cells_required, unsigned &natomsper, std::vector< unsigned > &atoms, unsigned avoidIndex=std::numeric_limits< unsigned >::max()) const | PLMD::LinkCells | |
| retrieveNeighboringAtoms(const Vector &pos, std::vector< unsigned > &cell_list, unsigned &natomsper, std::vector< unsigned > &atoms) const | PLMD::LinkCells | |
| setCutoff(double lcut) | PLMD::LinkCells | |
| setupCells(View< const Vector > pos, const Pbc &pbc) | PLMD::LinkCells | |
| setupCells(const T &pos, const Pbc &pbc) | PLMD::LinkCells | inline |