AvogadroLibs 1.98.1
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EnergyCalculator Member List

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

acceptsIons() constEnergyCalculatorvirtual
acceptsRadicals() constEnergyCalculatorvirtual
acceptsUnitCell() constEnergyCalculatorvirtual
appendError(const std::string &errorString, bool newLine=true) constEnergyCalculatorprotected
cleanGradients(TVector &grad)EnergyCalculator
description() const =0EnergyCalculatorpure virtual
elements() const =0EnergyCalculatorpure virtual
EnergyCalculator() (defined in EnergyCalculator)EnergyCalculator
gradient(const TVector &x, TVector &grad) overrideEnergyCalculatorvirtual
identifier() const =0EnergyCalculatorpure virtual
m_mask (defined in EnergyCalculator)EnergyCalculatorprotected
mask() constEnergyCalculator
name() const =0EnergyCalculatorpure virtual
newInstance() const =0EnergyCalculatorpure virtual
setConfiguration(Core::VariantMap &config)EnergyCalculatorvirtual
setMask(TVector mask)EnergyCalculator
setMolecule(Core::Molecule *mol)=0EnergyCalculatorpure virtual
~EnergyCalculator() (defined in EnergyCalculator)EnergyCalculator