OEMakeGaussians
bool OEMakeGaussians(OEGaussianContainerBase& gaussians,
const OEChem::OEMolBase& mol, double prefactor = 2.7)
bool OEMakeGaussians(OEGaussianContainerBase& gaussians,
const OEChem::OEMolBase& mol, double prefactor = 2.7)