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quantum_package/src/Integrals_Monoelec/orthonormalize.irp.f

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2014-04-16 22:16:32 +02:00
subroutine orthonormalize_mos
implicit none
integer :: m,p,s
m = size(mo_coef,1)
p = size(mo_overlap,1)
call ortho_lowdin(mo_overlap,p,mo_tot_num,mo_coef,m,ao_num)
mo_label = 'Orthonormalized'
SOFT_TOUCH mo_coef mo_label
end