qp2/src/mo_one_e_ints/orthonormalize.irp.f

subroutine orthonormalize_mos
  implicit none
  integer :: m,p,s,i
  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)
  SOFT_TOUCH mo_coef
end
Initial commit 2019-01-25 11:39:31 +01:00			`subroutine orthonormalize_mos`
			`implicit none`
Added restoration of symmetry 2020-11-11 01:12:52 +01:00			`integer :: m,p,s,i`
Initial commit 2019-01-25 11:39:31 +01:00			`m = size(mo_coef,1)`
			`p = size(mo_overlap,1)`
Fixed tests 2020-11-11 16:27:22 +01:00			`call ortho_lowdin(mo_overlap,p,mo_num,mo_coef,m,ao_num,lin_dep_cutoff)`
Added restoration of symmetry 2020-11-11 01:12:52 +01:00			`SOFT_TOUCH mo_coef`
Initial commit 2019-01-25 11:39:31 +01:00			`end`