ForceField Member List

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

applyMixingRule()	ForceField
automaticEwald	ForceField
ChargeMethod enum name	ForceField
chargeMethod	ForceField
computePolarization	ForceField
cutOffCoulomb	ForceField
cutOffCoulombAutomatic (defined in ForceField)	ForceField
cutOffFrameworkVDW	ForceField
cutOffFrameworkVDWAutomatic (defined in ForceField)	ForceField
cutOffMoleculeVDW	ForceField
cutOffMoleculeVDWAutomatic (defined in ForceField)	ForceField
cutOffVDW(std::size_t i, std::size_t j) const	ForceField
data	ForceField
dualCutOff	ForceField
energyOverlapCriteria	ForceField
EwaldAlpha	ForceField
EwaldPrecision	ForceField
findPseudoAtom(const std::string &name) const	ForceField
findPseudoAtom(const std::vector< PseudoAtom > pseudoAtoms, const std::string &name)	ForceField	static
ForceField() noexcept=default	ForceField
ForceField(std::vector< PseudoAtom > pseudoAtoms, std::vector< VDWParameters > parameters, MixingRule mixingRule, double cutOffFrameworkVDW, double cutOffMoleculeVDW, double cutOffCoulomb, bool shifted, bool tailCorrections, bool useCharge=true) noexcept(false)	ForceField
ForceField(std::string filePath) noexcept(false)	ForceField
gridPseudoAtomIndices (defined in ForceField)	ForceField
hasExternalField (defined in ForceField)	ForceField
initializeAutomaticCutOff(const SimulationBox &simulationBox) (defined in ForceField)	ForceField
initializeEwaldParameters(const SimulationBox &simulationBox)	ForceField
InterpolationGridType enum name (defined in ForceField)	ForceField
interpolationScheme (defined in ForceField)	ForceField
InterpolationScheme enum name (defined in ForceField)	ForceField
interpolationSchemeAuto (defined in ForceField)	ForceField
jsonForceFieldStatus() const	ForceField
jsonPseudoAtomStatus() const	ForceField
minimumRosenbluthFactor	ForceField
MixingRule enum name	ForceField
mixingRule	ForceField
numberOfCoulombGridPoints (defined in ForceField)	ForceField
numberOfFirstBeadPositions (defined in ForceField)	ForceField
numberOfGridTestPoints (defined in ForceField)	ForceField
numberOfPseudoAtoms	ForceField
numberOfTorsionTrialDirections (defined in ForceField)	ForceField
numberOfTrialDirections (defined in ForceField)	ForceField
numberOfVDWGridPoints (defined in ForceField)	ForceField
numberOfWaveVectors	ForceField
omitEwaldFourier	ForceField
omitInterInteractions	ForceField
omitInterPolarization	ForceField
operator()(std::size_t row, std::size_t col) (defined in ForceField)	ForceField	inline
operator()(std::size_t row, std::size_t col) const (defined in ForceField)	ForceField	inline
operator<< (defined in ForceField)	ForceField	friend
operator==(const ForceField &other) const (defined in ForceField)	ForceField
operator>> (defined in ForceField)	ForceField	friend
operator[](std::size_t row) const (defined in ForceField)	ForceField	inline
options	ForceField	static
potentialEnergySurfaceOrigin (defined in ForceField)	ForceField
potentialEnergySurfaceType (defined in ForceField)	ForceField
PotentialEnergySurfaceType enum name (defined in ForceField)	ForceField
preComputePotentialShift()	ForceField
preComputeTailCorrection()	ForceField
printCutOffAutoStatus() const (defined in ForceField)	ForceField
printForceFieldStatus() const	ForceField
printPseudoAtomStatus() const	ForceField
pseudoAtoms	ForceField
readForceField(std::optional< std::string > directoryName, std::string forceFieldFileName) noexcept(false)	ForceField	static
reciprocalCutOffSquared	ForceField
reciprocalIntegerCutOffSquared	ForceField
repr() const	ForceField	inline
shiftPotentials	ForceField
spacingCoulombGrid (defined in ForceField)	ForceField
spacingVDWGrid (defined in ForceField)	ForceField
tailCorrections	ForceField
useCharge	ForceField
useDualCutOff	ForceField
validateInput(const nlohmann::basic_json< nlohmann::raspa_map > &parsed_data) (defined in ForceField)	ForceField
versionNumber	ForceField