diff --git a/src/bitmask/core_inact_act_virt.irp.f b/src/bitmask/core_inact_act_virt.irp.f index d30e989f..b2cb36c0 100644 --- a/src/bitmask/core_inact_act_virt.irp.f +++ b/src/bitmask/core_inact_act_virt.irp.f @@ -413,3 +413,32 @@ END_PROVIDER print *, list_inact_act(1:n_inact_act_orb) END_PROVIDER + +BEGIN_PROVIDER [integer, n_all_but_del_orb] + implicit none + integer :: i + n_all_but_del_orb = 0 + do i = 1, mo_num + if( trim(mo_class(i))=="Core" & + .or. trim(mo_class(i))=="Inactive" & + .or. trim(mo_class(i))=="Active" & + .or. trim(mo_class(i))=="Virtual" )then + n_all_but_del_orb +=1 + endif + enddo +END_PROVIDER + +BEGIN_PROVIDER [integer, list_all_but_del_orb, (n_all_but_del_orb)] + implicit none + integer :: i,j + do i = 1, mo_num + if( trim(mo_class(i))=="Core" & + .or. trim(mo_class(i))=="Inactive" & + .or. trim(mo_class(i))=="Active" & + .or. trim(mo_class(i))=="Virtual" )then + list_all_but_del_orb(i) = i + endif + enddo + +END_PROVIDER +