rotate_mos
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_coef
mo_num
Calls:
save_mos()
Touches:
mo_coef
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_coef
mo_num
Calls:
save_mos()
Touches:
mo_coef