Framework Member List

This is the complete list of members for Framework, including all inherited members.

atoms	Framework
atomUnitCellLennardJonesPotentialParameters(const ForceField &forceField) const (defined in Framework)	Framework
bendBends	Framework
bends	Framework
bendTorsions	Framework
bondBonds	Framework
bondDipoles	Framework
bonds	Framework
chiralCenters	Framework
computeLargestNonOverlappingFreeRadius(const ForceField &forceField, double3 probe_position, double well_depth_factor) const (defined in Framework)	Framework
computeOverlap(const ForceField &forceField, double3 probe_position, double well_depth_factor, std::size_t probe_type, std::make_signed_t< std::size_t > skip) const (defined in Framework)	Framework
computeVanDerWaalsRadiusOverlap(const ForceField &forceField, double3 probe_position) const (defined in Framework)	Framework
definedAtoms	Framework
excludedIntraCoulomb	Framework
expandDefinedAtomsToUnitCell()	Framework
filename	Framework
filenameData	Framework
fractionalAtomPositionsUnitCell() const (defined in Framework)	Framework
Framework()	Framework
Framework(std::size_t currentComponent, const ForceField &forceField, const std::string &componentName, std::optional< const std::string > fileName, std::optional< int3 > numberOfUnitCells, Framework::UseChargesFrom useChargesFrom) noexcept(false)	Framework
Framework(std::size_t componentId, const ForceField &forceField, std::string componentName, SimulationBox simulationBox, std::size_t spaceGroupHallNumber, std::vector< Atom > definedAtoms, int3 numberOfUnitCells) noexcept(false)	Framework
frameworkId	Framework
ImproperTorsions	Framework
intraCoulomb	Framework
intraVDW	Framework
inversionBends	Framework
jsonStatus() const	Framework
largestCharge	Framework
makeSuperCell()	Framework
makeSuperCell(int3 numberOfCells) const (defined in Framework)	Framework
mass	Framework
name	Framework
netCharge	Framework
numberOfComponents (defined in Framework)	Framework
numberOfUnitCells	Framework
operator<< (defined in Framework)	Framework	friend
operator>> (defined in Framework)	Framework	friend
printBreakthroughStatus() const	Framework
printStatus(const ForceField &forceField) const	Framework
readFramework(const ForceField &forceField, const std::string &fileName)	Framework
repr() const	Framework
rigid	Framework
simulationBox	Framework
smallestCharge	Framework
spaceGroupHallNumber	Framework
stretchBends	Framework
stretchTorsions	Framework
Torsion	Framework
unitCellAtoms	Framework
unitCellMass	Framework
UreyBradley	Framework
useChargesFrom	Framework
UseChargesFrom enum name	Framework
versionNumber	Framework