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QuantumPackage/src/ao_one_e_ints/screening.irp.f

17 lines
436 B
Fortran

logical function ao_one_e_integral_zero(i,k)
implicit none
integer, intent(in) :: i,k
ao_one_e_integral_zero = .False.
if (.not.(read_ao_one_e_integrals.or.is_periodic)) then
if (ao_overlap_abs(i,k) < ao_integrals_threshold) then
ao_one_e_integral_zero = .True.
return
endif
endif
if (ao_two_e_integral_schwartz(i,k) < ao_integrals_threshold) then
ao_one_e_integral_zero = .True.
endif
end