3.7.13. horton.meanfield.rotate – Rotation of orbitals¶
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horton.meanfield.rotate.rotate_coeffs(coeffs, obasis, rmat)¶ Apply a rotation to all cartesian basis functions.
Arguments:
- coeffs
- Expansion coefficients of a set of functions (orbitals) in a local basis. shape=(nbasis,nfn)
- obasis
- The local basis set object.
- rmat
- The rotation matrix.