mirror of
https://github.com/LCPQ/quantum_package
synced 2024-11-08 23:23:57 +01:00
12 lines
242 B
Fortran
12 lines
242 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_tot_num,mo_coef,m,ao_num)
|
|
mo_label = 'Orthonormalized'
|
|
SOFT_TOUCH mo_coef mo_label
|
|
end
|
|
|
|
|