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)