addForceToAtomColumn(int atom2, Vector3d fg) (defined in OpenMD::ForceMatrixDecomposition) | OpenMD::ForceMatrixDecomposition | virtual |
addForceToAtomRow(int atom1, Vector3d fg) (defined in OpenMD::ForceMatrixDecomposition) | OpenMD::ForceMatrixDecomposition | virtual |
addToHeatFlux(Vector3d hf) (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | virtual |
atomStorageLayout_ (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | protected |
atypesLocal (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | protected |
buildNeighborList(vector< int > &neighborList, vector< int > &point, vector< Vector3d > &savedPositions) (defined in OpenMD::ForceMatrixDecomposition) | OpenMD::ForceMatrixDecomposition | virtual |
cellList_ (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | protected |
cellOffsets_ (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | protected |
cgColToGlobal (defined in OpenMD::ForceMatrixDecomposition) | OpenMD::ForceMatrixDecomposition | |
cgRowToGlobal (defined in OpenMD::ForceMatrixDecomposition) | OpenMD::ForceMatrixDecomposition | |
checkNeighborList(vector< Vector3d > savedPositions) (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | virtual |
collectData() (defined in OpenMD::ForceMatrixDecomposition) | OpenMD::ForceMatrixDecomposition | virtual |
collectIntermediateData() (defined in OpenMD::ForceMatrixDecomposition) | OpenMD::ForceMatrixDecomposition | virtual |
collectSelfData() | OpenMD::ForceMatrixDecomposition | virtual |
cutoffGroupStorageLayout_ (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | protected |
distributeData() (defined in OpenMD::ForceMatrixDecomposition) | OpenMD::ForceMatrixDecomposition | virtual |
distributeInitialData() | OpenMD::ForceMatrixDecomposition | virtual |
distributeIntermediateData() (defined in OpenMD::ForceMatrixDecomposition) | OpenMD::ForceMatrixDecomposition | virtual |
excludeAtomPair(int atom1, int atom2) | OpenMD::ForceMatrixDecomposition | virtual |
excludedPot (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | protected |
excludedSelfPot (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | protected |
excludesForAtom (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | protected |
ff_ (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | protected |
fillInteractionData(InteractionData &idat, int atom1, int atom2, bool newAtom1=true) (defined in OpenMD::ForceMatrixDecomposition) | OpenMD::ForceMatrixDecomposition | virtual |
fillPreForceData(SelfData &sdat, int atom) (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | virtual |
fillSelfData(SelfData &sdat, int atom) (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | virtual |
ForceDecomposition(SimInfo *info, InteractionManager *iMan) (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | |
ForceMatrixDecomposition(SimInfo *info, InteractionManager *iMan) (defined in OpenMD::ForceMatrixDecomposition) | OpenMD::ForceMatrixDecomposition | |
getAtomsInGroupColumn(int cg2) (defined in OpenMD::ForceMatrixDecomposition) | OpenMD::ForceMatrixDecomposition | virtual |
getAtomsInGroupRow(int cg1) | OpenMD::ForceMatrixDecomposition | virtual |
getAtomToGroupVectorColumn(int atom2, int cg2) (defined in OpenMD::ForceMatrixDecomposition) | OpenMD::ForceMatrixDecomposition | virtual |
getAtomToGroupVectorRow(int atom1, int cg1) (defined in OpenMD::ForceMatrixDecomposition) | OpenMD::ForceMatrixDecomposition | virtual |
getAtomVelocityColumn(int atom2) (defined in OpenMD::ForceMatrixDecomposition) | OpenMD::ForceMatrixDecomposition | virtual |
getExcludedPotential() (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | inlinevirtual |
getExcludedSelfPotential() (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | inlinevirtual |
getExcludesForAtom(int atom1) (defined in OpenMD::ForceMatrixDecomposition) | OpenMD::ForceMatrixDecomposition | virtual |
getGlobalID(int atom1) (defined in OpenMD::ForceMatrixDecomposition) | OpenMD::ForceMatrixDecomposition | virtual |
getGlobalIDCol(int atom1) (defined in OpenMD::ForceMatrixDecomposition) | OpenMD::ForceMatrixDecomposition | virtual |
getGlobalIDRow(int atom1) (defined in OpenMD::ForceMatrixDecomposition) | OpenMD::ForceMatrixDecomposition | virtual |
getGroupVelocityColumn(int cg2) (defined in OpenMD::ForceMatrixDecomposition) | OpenMD::ForceMatrixDecomposition | virtual |
getInteratomicVector(int atom1, int atom2) (defined in OpenMD::ForceMatrixDecomposition) | OpenMD::ForceMatrixDecomposition | virtual |
getIntergroupVector(int cg1, int cg2) (defined in OpenMD::ForceMatrixDecomposition) | OpenMD::ForceMatrixDecomposition | virtual |
getMassFactorColumn(int atom2) (defined in OpenMD::ForceMatrixDecomposition) | OpenMD::ForceMatrixDecomposition | virtual |
getMassFactorRow(int atom1) (defined in OpenMD::ForceMatrixDecomposition) | OpenMD::ForceMatrixDecomposition | virtual |
getNAtomsInRow() (defined in OpenMD::ForceMatrixDecomposition) | OpenMD::ForceMatrixDecomposition | virtual |
getPairwisePotential() (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | inlinevirtual |
getSelectedPotential() (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | inlinevirtual |
getSelectedSelfPotential() (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | inlinevirtual |
getSelfPotential() (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | inlinevirtual |
getTopologicalDistance(int atom1, int atom2) (defined in OpenMD::ForceMatrixDecomposition) | OpenMD::ForceMatrixDecomposition | virtual |
groupList_ (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | protected |
idents (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | protected |
info_ (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | protected |
interactionMan_ (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | protected |
massFactors (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | protected |
nCells_ (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | protected |
needVelocities_ (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | protected |
pairwisePot (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | protected |
rCut_ (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | protected |
regions (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | protected |
rigidBodyStorageLayout_ (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | protected |
rList_ (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | protected |
rListSq_ (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | protected |
selectedPot (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | protected |
selectedSelfPot (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | protected |
selfPot (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | protected |
setCutoffRadius(RealType rCut) (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | |
setHeatFlux(Vector3d hf) (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | virtual |
setSnapshot(Snapshot *snap) (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | inlinevirtual |
skinThickness_ | OpenMD::ForceDecomposition | protected |
skipAtomPair(int atom1, int atom2, int cg1, int cg2) | OpenMD::ForceMatrixDecomposition | virtual |
sman_ (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | protected |
snap_ (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | protected |
topoDist (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | protected |
toposForAtom | OpenMD::ForceDecomposition | protected |
unpackInteractionData(InteractionData &idat, int atom1, int atom2) (defined in OpenMD::ForceMatrixDecomposition) | OpenMD::ForceMatrixDecomposition | virtual |
unpackPreForceData(SelfData &sdat, int atom) (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | virtual |
unpackPrePairData(InteractionData &idat, int atom1, int atom2) (defined in OpenMD::ForceMatrixDecomposition) | OpenMD::ForceMatrixDecomposition | virtual |
unpackSelfData(SelfData &sdat, int atom) (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | virtual |
usePeriodicBoundaryConditions_ (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | protected |
zeroWorkArrays() (defined in OpenMD::ForceMatrixDecomposition) | OpenMD::ForceMatrixDecomposition | virtual |
~ForceDecomposition() (defined in OpenMD::ForceDecomposition) | OpenMD::ForceDecomposition | inlinevirtual |
~ForceMatrixDecomposition() (defined in OpenMD::ForceMatrixDecomposition) | OpenMD::ForceMatrixDecomposition | |