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21.5 Rotating pairs of orbitals

ROTATE, $orb_1.sym,orb_2.sym,angle$

Performs a $2\times 2$ rotation of the initial orbitals $orb_1$ and $orb_2$ in symmetry sym by angle degrees. With angle$=0$ the orbitals are exchanged. See MERGE for other possibilities to manipulate orbitals. In UHF, only the $\beta$-spin orbitals are rotated.


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Oct 10, 2007