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qp2/src/ao_one_e_ints/screening.irp.f

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2020-05-12 18:48:51 +02:00
logical function ao_one_e_integral_zero(i,k)
implicit none
integer, intent(in) :: i,k
ao_one_e_integral_zero = .False.
if (.not.((io_ao_integrals_overlap/='None').or.is_periodic)) then
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if (ao_overlap_abs(i,k) < ao_one_e_integrals_threshold) then
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ao_one_e_integral_zero = .True.
return
endif
endif
end