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PLMD::LinkCells Member List

This is the complete list of members for PLMD::LinkCells, including all inherited members.

addRequiredCells(const std::array< unsigned, 3 > &celn, unsigned &ncells_required, std::vector< unsigned > &cells_required, bool usePbc=true) constPLMD::LinkCells
allcellsPLMD::LinkCellsprivate
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::LinkCellsinline
commPLMD::LinkCellsprivate
convertIndicesToIndex(std::array< unsigned, 3 > cellCoord) constPLMD::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
cutoffwassetPLMD::LinkCellsprivate
enabled() constPLMD::LinkCellsinline
findCell(const Vector &pos) constPLMD::LinkCells
findMyCell(Vector pos) constPLMD::LinkCells
findMyCell(unsigned cellIndex) constPLMD::LinkCells
getCellLimits() constPLMD::LinkCellsinline
getCollection(View< const Vector > pos, View< const unsigned > indices)PLMD::LinkCells
getCollection(const T &pos, const Y &indices)PLMD::LinkCellsinline
getCutoff() constPLMD::LinkCells
getMaxInCell() constPLMD::LinkCells
getNumberOfCells() constPLMD::LinkCellsinline
innerCollectionPLMD::LinkCellsprivate
link_cutoffPLMD::LinkCellsprivate
LinkCells(Communicator &comm)PLMD::LinkCellsexplicit
mypbcPLMD::LinkCellsprivate
ncellsPLMD::LinkCellsprivate
nopbcPLMD::LinkCellsprivate
nstridePLMD::LinkCellsprivate
originPLMD::LinkCellsprivate
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()) constPLMD::LinkCells
retrieveNeighboringAtoms(const Vector &pos, std::vector< unsigned > &cell_list, unsigned &natomsper, std::vector< unsigned > &atoms) constPLMD::LinkCells
setCutoff(double lcut)PLMD::LinkCells
setupCells(View< const Vector > pos, const Pbc &pbc)PLMD::LinkCells
setupCells(const T &pos, const Pbc &pbc)PLMD::LinkCellsinline