AvogadroLibs 1.98.1
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This is the complete list of members for EnergyCalculator, including all inherited members.
acceptsIons() const | EnergyCalculator | virtual |
acceptsRadicals() const | EnergyCalculator | virtual |
acceptsUnitCell() const | EnergyCalculator | virtual |
appendError(const std::string &errorString, bool newLine=true) const | EnergyCalculator | protected |
cleanGradients(TVector &grad) | EnergyCalculator | |
description() const =0 | EnergyCalculator | pure virtual |
elements() const =0 | EnergyCalculator | pure virtual |
EnergyCalculator() (defined in EnergyCalculator) | EnergyCalculator | |
gradient(const TVector &x, TVector &grad) override | EnergyCalculator | virtual |
identifier() const =0 | EnergyCalculator | pure virtual |
m_mask (defined in EnergyCalculator) | EnergyCalculator | protected |
mask() const | EnergyCalculator | |
name() const =0 | EnergyCalculator | pure virtual |
newInstance() const =0 | EnergyCalculator | pure virtual |
setConfiguration(Core::VariantMap &config) | EnergyCalculator | virtual |
setMask(TVector mask) | EnergyCalculator | |
setMolecule(Core::Molecule *mol)=0 | EnergyCalculator | pure virtual |
~EnergyCalculator() (defined in EnergyCalculator) | EnergyCalculator |