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Checking map_integrals.irp.f
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@ -53,7 +53,7 @@ echo $RED "
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To complete the installation, add the following line to
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your ~/.bashrc:
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source quantum_package.rc
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source ${QPACKAGE_ROOT}/quantum_package.rc
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=======================================================
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" $BLACK
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@ -91,6 +91,17 @@ subroutine bielec_integrals_index_reverse(i,j,k,l,i1)
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endif
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enddo
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enddo
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do ii=1,8
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if (i(ii) /= 0) then
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call bielec_integrals_index(i(ii),j(ii),k(ii),l(ii),i2)
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if (i1 /= i2) then
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print *, i1, i2
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print *, i(ii), j(jj), k(jj), l(jj)
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stop 'bielec_integrals_index_reverse failed'
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endif
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endif
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enddo
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end
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