ROTATE_MOS(1)

NAME
rotate_mos - | Quantum Package > Rotates molecular orbitals i and j by combining them as $1/sqrt{2} ( phi_i + phi_j )$ and $1/sqrt{2} ( phi_i - phi_j )$.

Needs:

•   ao_num

•   mo_num

•   mo_coef

    Calls:

•   save_mos()

    Touches:

•   mo_coef

AUTHOR
A. Scemama, E. Giner

COPYRIGHT
2019, A. Scemama, E. Giner