qp2/src/mo_one_e_ints/orthonormalize.irp.f

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,lin_dep_cutoff)
  mo_label = 'Orthonormalized'
  SOFT_TOUCH mo_coef mo_label
end
Initial commit 2019-01-25 11:39:31 +01:00			`subroutine orthonormalize_mos`
			`implicit none`
			`integer :: m,p,s`
			`m = size(mo_coef,1)`
			`p = size(mo_overlap,1)`
Linear dependencies cutoff 2020-05-25 11:31:28 +02:00			`call ortho_lowdin(mo_overlap,p,mo_num,mo_coef,m,ao_num,lin_dep_cutoff)`
Initial commit 2019-01-25 11:39:31 +01:00			`mo_label = 'Orthonormalized'`
			`SOFT_TOUCH mo_coef mo_label`
			`end`