Searched refs:principal_moments_of_inertia (Results 1 – 5 of 5) sorted by relevance
98 pmoi, axes = nuclear.principal_moments_of_inertia("amu_angstrom_2")115 pmoi, _ = nuclear.principal_moments_of_inertia("amu_bohr_2")
151 def principal_moments_of_inertia(self, units='amu_bohr_2'): member in Nuclear182 principal_moments = self.principal_moments_of_inertia("amu_angstrom_2")[0]
397 void principal_moments_of_inertia(double *evals, double **evecs=0) const;
279 mol_->principal_moments_of_inertia(pmi); in thermochemistry()
1182 Molecule::principal_moments_of_inertia(double *evals, double **evecs) const in principal_moments_of_inertia() function in Molecule