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quantum_package/plugins/FOBOCI/fobo_scf.irp.f
2016-03-11 23:27:39 +01:00

36 lines
565 B
Fortran

program foboscf
implicit none
no_oa_or_av_opt = .True.
touch no_oa_or_av_opt
call run_prepare
call routine_fobo_scf
call save_mos
end
subroutine run_prepare
implicit none
call damping_SCF
call diag_inactive_virt_and_update_mos
end
subroutine routine_fobo_scf
implicit none
integer :: i,j
print*,''
print*,''
character*(64) :: label
label = "Natural"
do i = 1, 5
call FOBOCI_lmct_mlct_old_thr
call save_osoci_natural_mos
call damping_SCF
call diag_inactive_virt_and_update_mos
call clear_mo_map
call provide_properties
enddo
end