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fixed laplacian of aos
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@ -65,21 +65,6 @@ double precision function primitive_value(i,j,r)
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end
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subroutine give_all_aos_at_r_old(r,aos_array)
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implicit none
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BEGIN_dOC
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! gives the values of aos at a given point r
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END_DOC
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double precision, intent(in) :: r(3)
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double precision, intent(out) :: aos_array(ao_num)
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integer :: i
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double precision :: ao_value
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do i = 1, ao_num
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aos_array(i) = ao_value(i,r)
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enddo
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end
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subroutine give_all_aos_at_r(r,aos_array)
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implicit none
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BEGIN_dOC
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@ -87,7 +72,7 @@ subroutine give_all_aos_at_r(r,aos_array)
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! aos_array(i) = aos(i) evaluated in r
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END_DOC
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double precision, intent(in) :: r(3)
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double precision, intent(out) :: aos_array(ao_num)
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double precision, intent(out):: aos_array(ao_num)
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integer :: power_ao(3)
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integer :: i,j,k,l,m
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