addNewAtomImport(int atom_index) | stormm::energy::ValenceWorkUnit | |
addNewAtomUpdate(const int atom_index) | stormm::energy::ValenceWorkUnit | |
getAccumulationFlags(VwuTask vtask) const | stormm::energy::ValenceWorkUnit | |
getAngleInstruction(int index) const | stormm::energy::ValenceWorkUnit | |
getAngleInstructions() const | stormm::energy::ValenceWorkUnit | |
getAngleRestraintInstruction(int index) const | stormm::energy::ValenceWorkUnit | |
getAngleRestraintInstructions() const | stormm::energy::ValenceWorkUnit | |
getAtomImportList(int atom_offset=0) const | stormm::energy::ValenceWorkUnit | |
getAtomManipulationMasks() const | stormm::energy::ValenceWorkUnit | |
getAtomUpdateFlags() const | stormm::energy::ValenceWorkUnit | |
getCmapInstruction(int index) const | stormm::energy::ValenceWorkUnit | |
getCmapInstructions() const | stormm::energy::ValenceWorkUnit | |
getCompositeBondInstruction(int index) const | stormm::energy::ValenceWorkUnit | |
getCompositeBondInstructions() const | stormm::energy::ValenceWorkUnit | |
getCompositeBondTaskList() const | stormm::energy::ValenceWorkUnit | |
getCompositeDihedralInstruction(int index) const | stormm::energy::ValenceWorkUnit | |
getCompositeDihedralInstructions() const | stormm::energy::ValenceWorkUnit | |
getCompositeDihedralTaskList() const | stormm::energy::ValenceWorkUnit | |
getConstraintGroupInstruction(int index) const | stormm::energy::ValenceWorkUnit | |
getConstraintGroupInstructions() const | stormm::energy::ValenceWorkUnit | |
getDelegatorPointer() | stormm::energy::ValenceWorkUnit | |
getDihedralRestraintInstruction(int index) const | stormm::energy::ValenceWorkUnit | |
getDihedralRestraintInstructions() const | stormm::energy::ValenceWorkUnit | |
getDistanceRestraintInstruction(int index) const | stormm::energy::ValenceWorkUnit | |
getDistanceRestraintInstructions() const | stormm::energy::ValenceWorkUnit | |
getImportedAtomCount() const | stormm::energy::ValenceWorkUnit | |
getImportedAtomIndex(int slot, int atom_offset=0) const | stormm::energy::ValenceWorkUnit | |
getInferred14Instruction(int index) const | stormm::energy::ValenceWorkUnit | |
getInferred14Instructions() const | stormm::energy::ValenceWorkUnit | |
getListIndex() const | stormm::energy::ValenceWorkUnit | |
getMaxAtomIndex() const | stormm::energy::ValenceWorkUnit | |
getMaxAtoms() const | stormm::energy::ValenceWorkUnit | |
getMinAtomIndex() const | stormm::energy::ValenceWorkUnit | |
getMovedAtomCount() const | stormm::energy::ValenceWorkUnit | |
getPaddedConstraintInstructionCount() const | stormm::energy::ValenceWorkUnit | |
getPositionalRestraintInstruction(int index) const | stormm::energy::ValenceWorkUnit | |
getPositionalRestraintInstructions() const | stormm::energy::ValenceWorkUnit | |
getRestraintApparatusPointer() const | stormm::energy::ValenceWorkUnit | |
getSettleGroupInstruction(int index) const | stormm::energy::ValenceWorkUnit | |
getSettleGroupInstructions() const | stormm::energy::ValenceWorkUnit | |
getSimpleTaskList(VwuTask vtask) const | stormm::energy::ValenceWorkUnit | |
getTaskCounts() const | stormm::energy::ValenceWorkUnit | |
getTopologyPointer() const | stormm::energy::ValenceWorkUnit | |
getUpdatedAtomCount() const | stormm::energy::ValenceWorkUnit | |
getVirtualSiteInstruction(int index) const | stormm::energy::ValenceWorkUnit | |
getVirtualSiteInstructions() const | stormm::energy::ValenceWorkUnit | |
logActivities() | stormm::energy::ValenceWorkUnit | |
makeAtomMoveList() | stormm::energy::ValenceWorkUnit | |
makeAtomUpdateMask() | stormm::energy::ValenceWorkUnit | |
setAtomLimit(int new_limit) | stormm::energy::ValenceWorkUnit | |
setListIndex(int list_index_in) | stormm::energy::ValenceWorkUnit | |
sortAtomSets() | stormm::energy::ValenceWorkUnit | |
storeAngleInstructions(const std::vector< int > ¶meter_map={}) | stormm::energy::ValenceWorkUnit | |
storeAngleRestraintInstructions(const std::vector< int > &kr_param_map={}) | stormm::energy::ValenceWorkUnit | |
storeCmapInstructions(const std::vector< int > ¶meter_map={}) | stormm::energy::ValenceWorkUnit | |
storeCompositeBondInstructions(const std::vector< int > &bond_param_map={}, const std::vector< int > &ubrd_param_map={}) | stormm::energy::ValenceWorkUnit | |
storeCompositeDihedralInstructions(const std::vector< int > &dihe_param_map={}, const std::vector< int > &dihe14_param_map={}, const std::vector< int > &cimp_param_map={}) | stormm::energy::ValenceWorkUnit | |
storeConstraintGroupInstructions(const std::vector< int > ¶meter_map={}, const std::vector< int > &group_param_bounds={}) | stormm::energy::ValenceWorkUnit | |
storeDihedralRestraintInstructions(const std::vector< int > &kr_param_map={}) | stormm::energy::ValenceWorkUnit | |
storeDistanceRestraintInstructions(const std::vector< int > &kr_param_map={}) | stormm::energy::ValenceWorkUnit | |
storeInferred14Instructions(const std::vector< int > ¶meter_map={}) | stormm::energy::ValenceWorkUnit | |
storePositionalRestraintInstructions(const std::vector< int > &kr_param_map={}, const std::vector< int > &xyz_param_map={}) | stormm::energy::ValenceWorkUnit | |
storeSettleGroupInstructions(const std::vector< int > ¶meter_map={}) | stormm::energy::ValenceWorkUnit | |
storeVirtualSiteInstructions(const std::vector< int > ¶meter_map={}) | stormm::energy::ValenceWorkUnit | |
ValenceWorkUnit(ValenceDelegator *vdel_in, std::vector< int > *tvwu_coverage, int list_index_in, int seed_atom_in, int max_atoms_in=maximum_valence_work_unit_atoms) | stormm::energy::ValenceWorkUnit | |