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qp2/src/mo_one_e_ints/orthonormalize.irp.f
2019-01-25 11:39:31 +01:00

12 lines
237 B
Fortran

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_num,mo_coef,m,ao_num)
mo_label = 'Orthonormalized'
SOFT_TOUCH mo_coef mo_label
end