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Merge branch 'master' of github.com:TREX-CoE/qmckl

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Anthony Scemama 2023-11-30 01:17:23 +01:00
commit dba15f6b84
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@ -4402,8 +4402,8 @@ assert(0 == test_qmckl_ao_power(context));
\frac{\partial }{\partial z^2} \right) P_l
\left(\mathbf{r},\mathbf{R}_i \right) & = &
a(a-1) (x-X_i)^{a-2} (y-Y_i)^b (z-Z_i)^c + \\
&& b(b-1) (x-X_i)^a (y-Y_i)^{b-1} (z-Z_i)^c + \\
&& c(c-1) (x-X_i)^a (y-Y_i)^b (z-Z_i)^{c-1}.
&& b(b-1) (x-X_i)^a (y-Y_i)^{b-2} (z-Z_i)^c + \\
&& c(c-1) (x-X_i)^a (y-Y_i)^b (z-Z_i)^{c-2}.
\end{eqnarray*}
~qmckl_ao_polynomial_vgl~ computes the values, gradients and