Searched defs:getOrbitals (Results 1 – 2 of 2) sorted by relevance
440 std::vector<WaveFunctionComponent*>& getOrbitals() { return Z; } in getOrbitals() function
402 private void getOrbitals(float[] e, float[] c, int occ, int nElec) { in getOrbitals() method in GaussianFchkReader