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Fix bug with non-continuous active MOs and deleted
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@ -27,9 +27,7 @@ BEGIN_PROVIDER [ integer(bit_kind), full_ijkl_bitmask, (N_int) ]
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full_ijkl_bitmask(j) = 0_bit_kind
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full_ijkl_bitmask(j) = 0_bit_kind
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do i=0,bit_kind_size-1
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do i=0,bit_kind_size-1
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k=k+1
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k=k+1
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if (mo_class(k) /= 'Deleted') then
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full_ijkl_bitmask(j) = ibset(full_ijkl_bitmask(j),i)
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full_ijkl_bitmask(j) = ibset(full_ijkl_bitmask(j),i)
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endif
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if (k == mo_num) exit
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if (k == mo_num) exit
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enddo
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enddo
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enddo
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enddo
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