JDFTx  1.6.0
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Molecule Member List

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

checkCharge()Molecule
getAlphaTot() const Molecule
getBonds() const Molecule
getCharge() const Molecule
getDipole() const Molecule
getVhs() const Molecule
isMonoatomic() const Molecule
mfKernelMolecule
Molecule(string name=string()) (defined in Molecule)Molecule
nameMolecule
operator bool() const Moleculeinlineexplicit
setModelMonoatomic(string name, double Q, double Rhs)Molecule
setup(const GridInfo &gInfo, double Rmf) (defined in Molecule)Molecule
sites (defined in Molecule)Molecule
~Molecule() (defined in Molecule)Molecule