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Merge branch 'hotfix/norm'
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commit
e791273547
@ -260,26 +260,6 @@ END_PROVIDER
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enddo
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enddo
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! Normalization of the contracted AOs
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! -----------------------------------
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integer :: k
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do i=1,ao_num
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pow(1) = ao_power_transp(1,i)
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pow(2) = ao_power_transp(2,i)
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pow(3) = ao_power_transp(3,i)
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norm = 0.d0
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do j=1,ao_prim_num(i)
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do k=1,ao_prim_num(i)
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norm = norm + ao_coef(i,j) * ao_coef(i,k) * goverlap(ao_expo(i,j),ao_expo(i,k),pow)
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enddo
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enddo
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do j=1,ao_prim_num(i)
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ao_coef(i,j) = ao_coef(i,j)/sqrt(norm)
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enddo
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enddo
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END_PROVIDER
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