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added all_but_del_orb

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This commit is contained in:
Emmanuel Giner 2020-03-24 11:56:37 +01:00
parent 50123076a0
commit 4a527dc6a9
1 changed files with 29 additions and 0 deletions
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29
src/bitmask/core_inact_act_virt.irp.f
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@ -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