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    <innerclass refid="classlibecpint_1_1_radial_integral" prot="public">libecpint::RadialIntegral</innerclass>
    <innerclass refid="structlibecpint_1_1_radial_integral_1_1_parameters" prot="public">libecpint::RadialIntegral::Parameters</innerclass>
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<codeline lineno="1"><highlight class="comment">/*<sp/></highlight></codeline>
<codeline lineno="2"><highlight class="comment"><sp/>*<sp/><sp/><sp/><sp/><sp/><sp/>Copyright<sp/>(c)<sp/>2020<sp/>Robert<sp/>Shaw</highlight></codeline>
<codeline lineno="3"><highlight class="comment"><sp/>*<sp/><sp/><sp/><sp/><sp/><sp/>This<sp/>file<sp/>is<sp/>a<sp/>part<sp/>of<sp/>Libecpint.</highlight></codeline>
<codeline lineno="4"><highlight class="comment"><sp/>*</highlight></codeline>
<codeline lineno="5"><highlight class="comment"><sp/>*<sp/><sp/><sp/><sp/><sp/><sp/>Permission<sp/>is<sp/>hereby<sp/>granted,<sp/>free<sp/>of<sp/>charge,<sp/>to<sp/>any<sp/>person<sp/>obtaining</highlight></codeline>
<codeline lineno="6"><highlight class="comment"><sp/>*<sp/><sp/><sp/><sp/><sp/><sp/>a<sp/>copy<sp/>of<sp/>this<sp/>software<sp/>and<sp/>associated<sp/>documentation<sp/>files<sp/>(the</highlight></codeline>
<codeline lineno="7"><highlight class="comment"><sp/>*<sp/><sp/><sp/><sp/><sp/><sp/>&quot;Software&quot;),<sp/>to<sp/>deal<sp/>in<sp/>the<sp/>Software<sp/>without<sp/>restriction,<sp/>including</highlight></codeline>
<codeline lineno="8"><highlight class="comment"><sp/>*<sp/><sp/><sp/><sp/><sp/><sp/>without<sp/>limitation<sp/>the<sp/>rights<sp/>to<sp/>use,<sp/>copy,<sp/>modify,<sp/>merge,<sp/>publish,</highlight></codeline>
<codeline lineno="9"><highlight class="comment"><sp/>*<sp/><sp/><sp/><sp/><sp/><sp/>distribute,<sp/>sublicense,<sp/>and/or<sp/>sell<sp/>copies<sp/>of<sp/>the<sp/>Software,<sp/>and<sp/>to</highlight></codeline>
<codeline lineno="10"><highlight class="comment"><sp/>*<sp/><sp/><sp/><sp/><sp/><sp/>permit<sp/>persons<sp/>to<sp/>whom<sp/>the<sp/>Software<sp/>is<sp/>furnished<sp/>to<sp/>do<sp/>so,<sp/>subject<sp/>to</highlight></codeline>
<codeline lineno="11"><highlight class="comment"><sp/>*<sp/><sp/><sp/><sp/><sp/><sp/>the<sp/>following<sp/>conditions:</highlight></codeline>
<codeline lineno="12"><highlight class="comment"><sp/>*</highlight></codeline>
<codeline lineno="13"><highlight class="comment"><sp/>*<sp/><sp/><sp/><sp/><sp/><sp/>The<sp/>above<sp/>copyright<sp/>notice<sp/>and<sp/>this<sp/>permission<sp/>notice<sp/>shall<sp/>be</highlight></codeline>
<codeline lineno="14"><highlight class="comment"><sp/>*<sp/><sp/><sp/><sp/><sp/><sp/>included<sp/>in<sp/>all<sp/>copies<sp/>or<sp/>substantial<sp/>portions<sp/>of<sp/>the<sp/>Software.</highlight></codeline>
<codeline lineno="15"><highlight class="comment"><sp/>*</highlight></codeline>
<codeline lineno="16"><highlight class="comment"><sp/>*<sp/><sp/><sp/><sp/><sp/><sp/>THE<sp/>SOFTWARE<sp/>IS<sp/>PROVIDED<sp/>&quot;AS<sp/>IS&quot;,<sp/>WITHOUT<sp/>WARRANTY<sp/>OF<sp/>ANY<sp/>KIND,</highlight></codeline>
<codeline lineno="17"><highlight class="comment"><sp/>*<sp/><sp/><sp/><sp/><sp/><sp/>EXPRESS<sp/>OR<sp/>IMPLIED,<sp/>INCLUDING<sp/>BUT<sp/>NOT<sp/>LIMITED<sp/>TO<sp/>THE<sp/>WARRANTIES<sp/>OF</highlight></codeline>
<codeline lineno="18"><highlight class="comment"><sp/>*<sp/><sp/><sp/><sp/><sp/><sp/>MERCHANTABILITY,<sp/>FITNESS<sp/>FOR<sp/>A<sp/>PARTICULAR<sp/>PURPOSE<sp/>AND</highlight></codeline>
<codeline lineno="19"><highlight class="comment"><sp/>*<sp/><sp/><sp/><sp/><sp/><sp/>NONINFRINGEMENT.<sp/>IN<sp/>NO<sp/>EVENT<sp/>SHALL<sp/>THE<sp/>AUTHORS<sp/>OR<sp/>COPYRIGHT<sp/>HOLDERS<sp/>BE</highlight></codeline>
<codeline lineno="20"><highlight class="comment"><sp/>*<sp/><sp/><sp/><sp/><sp/><sp/>LIABLE<sp/>FOR<sp/>ANY<sp/>CLAIM,<sp/>DAMAGES<sp/>OR<sp/>OTHER<sp/>LIABILITY,<sp/>WHETHER<sp/>IN<sp/>AN<sp/>ACTION</highlight></codeline>
<codeline lineno="21"><highlight class="comment"><sp/>*<sp/><sp/><sp/><sp/><sp/><sp/>OF<sp/>CONTRACT,<sp/>TORT<sp/>OR<sp/>OTHERWISE,<sp/>ARISING<sp/>FROM,<sp/>OUT<sp/>OF<sp/>OR<sp/>IN<sp/>CONNECTION</highlight></codeline>
<codeline lineno="22"><highlight class="comment"><sp/>*<sp/><sp/><sp/><sp/><sp/><sp/>WITH<sp/>THE<sp/>SOFTWARE<sp/>OR<sp/>THE<sp/>USE<sp/>OR<sp/>OTHER<sp/>DEALINGS<sp/>IN<sp/>THE<sp/>SOFTWARE.</highlight></codeline>
<codeline lineno="23"><highlight class="comment"><sp/>*/</highlight><highlight class="normal"></highlight></codeline>
<codeline lineno="24"><highlight class="normal"></highlight></codeline>
<codeline lineno="25"><highlight class="normal"></highlight><highlight class="preprocessor">#ifndef<sp/>RADIAL_HEAD</highlight><highlight class="normal"></highlight></codeline>
<codeline lineno="26"><highlight class="normal"></highlight><highlight class="preprocessor">#define<sp/>RADIAL_HEAD</highlight><highlight class="normal"></highlight></codeline>
<codeline lineno="27"><highlight class="normal"></highlight></codeline>
<codeline lineno="28"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&lt;vector&gt;</highlight><highlight class="normal"></highlight></codeline>
<codeline lineno="29"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="multiarr_8hpp" kindref="compound">multiarr.hpp</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
<codeline lineno="30"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="gaussquad_8hpp" kindref="compound">gaussquad.hpp</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
<codeline lineno="31"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="ecp_8hpp" kindref="compound">ecp.hpp</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
<codeline lineno="32"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="bessel_8hpp" kindref="compound">bessel.hpp</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
<codeline lineno="33"><highlight class="normal"></highlight><highlight class="preprocessor">#include<sp/>&quot;<ref refid="gshell_8hpp" kindref="compound">gshell.hpp</ref>&quot;</highlight><highlight class="normal"></highlight></codeline>
<codeline lineno="34"><highlight class="normal"></highlight></codeline>
<codeline lineno="35"><highlight class="normal"></highlight><highlight class="keyword">namespace<sp/></highlight><highlight class="normal"><ref refid="namespacelibecpint" kindref="compound">libecpint</ref><sp/>{</highlight></codeline>
<codeline lineno="36"><highlight class="normal"></highlight></codeline>
<codeline lineno="37" refid="namespacelibecpint_1a92d5ae635e6e5d78682fd89ce537a7a3" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/>constexpr<sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/><ref refid="namespacelibecpint_1a92d5ae635e6e5d78682fd89ce537a7a3" kindref="member">MIN_EXP</ref><sp/>=<sp/>0.002;</highlight></codeline>
<codeline lineno="46" refid="classlibecpint_1_1_radial_integral" refkind="compound"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">class<sp/></highlight><highlight class="normal"><ref refid="classlibecpint_1_1_radial_integral" kindref="compound">RadialIntegral</ref></highlight></codeline>
<codeline lineno="47"><highlight class="normal"><sp/><sp/><sp/><sp/>{</highlight></codeline>
<codeline lineno="48"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">private</highlight><highlight class="normal">:</highlight></codeline>
<codeline lineno="50" refid="classlibecpint_1_1_radial_integral_1a3eab6902a04542fea0f7716720101ab5" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibecpint_1_1_g_c_quadrature" kindref="compound">GCQuadrature</ref><sp/><ref refid="classlibecpint_1_1_radial_integral_1a3eab6902a04542fea0f7716720101ab5" kindref="member">bigGrid</ref>;</highlight></codeline>
<codeline lineno="52" refid="classlibecpint_1_1_radial_integral_1a8fd9dc20f11777d70a4717bcd6e42695" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibecpint_1_1_g_c_quadrature" kindref="compound">GCQuadrature</ref><sp/><ref refid="classlibecpint_1_1_radial_integral_1a8fd9dc20f11777d70a4717bcd6e42695" kindref="member">smallGrid</ref>;</highlight></codeline>
<codeline lineno="54" refid="classlibecpint_1_1_radial_integral_1a0ecab0ef4febcbbde502dd2d8d0e3232" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibecpint_1_1_g_c_quadrature" kindref="compound">GCQuadrature</ref><sp/><ref refid="classlibecpint_1_1_radial_integral_1a0ecab0ef4febcbbde502dd2d8d0e3232" kindref="member">primGrid</ref>;<sp/></highlight></codeline>
<codeline lineno="56" refid="classlibecpint_1_1_radial_integral_1a02377eb5c6fa6e3e8bc7a9adab9d54ce" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibecpint_1_1_bessel_function" kindref="compound">BesselFunction</ref><sp/><ref refid="classlibecpint_1_1_radial_integral_1a02377eb5c6fa6e3e8bc7a9adab9d54ce" kindref="member">bessie</ref>;</highlight></codeline>
<codeline lineno="57"><highlight class="normal"></highlight></codeline>
<codeline lineno="59" refid="classlibecpint_1_1_radial_integral_1aec0cebbcc385b095d3cddaca1535bfc6" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/><ref refid="classlibecpint_1_1_radial_integral_1aec0cebbcc385b095d3cddaca1535bfc6" kindref="member">tolerance</ref>;</highlight></codeline>
<codeline lineno="60"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight></codeline>
<codeline lineno="62"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">static</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/><ref refid="classlibecpint_1_1_radial_integral_1ac44fed4a3ddd6f4070a059fae618825c" kindref="member">integrand</ref>(</highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>r,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>*p,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>ix);</highlight></codeline>
<codeline lineno="63"><highlight class="normal"></highlight></codeline>
<codeline lineno="72"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibecpint_1_1_radial_integral_1a162467ec2a4b9561b53215ea3f6ac835" kindref="member">buildBessel</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;double&gt;<sp/>&amp;r,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>nr,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/><ref refid="namespacelibecpint_1a190a564f849660c170e298aba2181d0a" kindref="member">maxL</ref>,<sp/><ref refid="structlibecpint_1_1_two_index" kindref="compound">TwoIndex&lt;double&gt;</ref><sp/>&amp;values,<sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>weight<sp/>=<sp/>1.0)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
<codeline lineno="73"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight></codeline>
<codeline lineno="74"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/><ref refid="classlibecpint_1_1_radial_integral_1a3d24ad5249cce6f7d2c756b35838b420" kindref="member">calcKij</ref>(</highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>Na,<sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>Nb,<sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>zeta_a,<sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>zeta_b,<sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>R2)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
<codeline lineno="75"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight></codeline>
<codeline lineno="84"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibecpint_1_1_radial_integral_1aeadf896902754c614f12b4dfd7d12397" kindref="member">buildU</ref>(</highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibecpint_1_1_e_c_p" kindref="compound">ECP</ref><sp/>&amp;U,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>l,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>N,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="classlibecpint_1_1_g_c_quadrature" kindref="compound">GCQuadrature</ref><sp/>&amp;grid,<sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>*Utab)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
<codeline lineno="85"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight></codeline>
<codeline lineno="97"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibecpint_1_1_radial_integral_1afb4ba9e73581249f9854212c08fe5fe2" kindref="member">buildF</ref>(</highlight></codeline>
<codeline lineno="98"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibecpint_1_1_gaussian_shell" kindref="compound">GaussianShell</ref><sp/>&amp;shell,<sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>A,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>lstart,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>lend,</highlight></codeline>
<codeline lineno="99"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;double&gt;<sp/>&amp;r,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>nr,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>start,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>end,</highlight></codeline>
<codeline lineno="100"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structlibecpint_1_1_two_index" kindref="compound">TwoIndex&lt;double&gt;</ref><sp/>&amp;F)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
<codeline lineno="101"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight></codeline>
<codeline lineno="114"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/><ref refid="classlibecpint_1_1_radial_integral_1a0aab6879e20837964bbb6370e5e97602" kindref="member">integrate</ref>(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/><ref refid="namespacelibecpint_1a190a564f849660c170e298aba2181d0a" kindref="member">maxL</ref>,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>gridSize,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibecpint_1_1_two_index" kindref="compound">TwoIndex&lt;double&gt;</ref><sp/>&amp;intValues,<sp/><ref refid="classlibecpint_1_1_g_c_quadrature" kindref="compound">GCQuadrature</ref><sp/>&amp;grid,<sp/>std::vector&lt;double&gt;<sp/>&amp;values,</highlight></codeline>
<codeline lineno="115"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>start,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>end,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>offset<sp/>=<sp/>0,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>skip<sp/>=<sp/>1)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
<codeline lineno="116"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight></codeline>
<codeline lineno="133"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibecpint_1_1_radial_integral_1a54959dd73caf19610aaf64ef92dc38bd" kindref="member">compute_base_integrals</ref>(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>N_min,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>N_max,<sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>p,<sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>o_root_p,<sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>P1,</highlight></codeline>
<codeline lineno="134"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>P2,<sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>P1_2,<sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>P2_2,<sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>X1,<sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>X2,</highlight></codeline>
<codeline lineno="135"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>oP1,<sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>oP2,<sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal">*<sp/>values)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
<codeline lineno="136"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight></codeline>
<codeline lineno="149"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>std::pair&lt;double,<sp/>bool&gt;<sp/><ref refid="classlibecpint_1_1_radial_integral_1a60c518824374379acf78f7d2b646e96f" kindref="member">integrate_small</ref>(</highlight></codeline>
<codeline lineno="150"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>N,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>l1,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>l2,<sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>n,<sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>a,<sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>b,<sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>A,<sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>B)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
<codeline lineno="151"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight></codeline>
<codeline lineno="152"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">public</highlight><highlight class="normal">:</highlight></codeline>
<codeline lineno="154"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="classlibecpint_1_1_radial_integral_1af36637d464da95bf4eef4397021bed72" kindref="member">RadialIntegral</ref>();</highlight></codeline>
<codeline lineno="155"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight></codeline>
<codeline lineno="163"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibecpint_1_1_radial_integral_1ab393e4e63a410d922c4b8fa1bee7df3f" kindref="member">init</ref>(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/><ref refid="namespacelibecpint_1a190a564f849660c170e298aba2181d0a" kindref="member">maxL</ref>,<sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>tol<sp/>=<sp/>1e-15,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>small<sp/>=<sp/>256,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>large<sp/>=<sp/>1024);</highlight></codeline>
<codeline lineno="164"><highlight class="normal"></highlight></codeline>
<codeline lineno="166" refid="structlibecpint_1_1_radial_integral_1_1_parameters" refkind="compound"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">struct<sp/></highlight><highlight class="normal"><ref refid="structlibecpint_1_1_radial_integral_1_1_parameters" kindref="compound">Parameters</ref><sp/>{</highlight></codeline>
<codeline lineno="168" refid="structlibecpint_1_1_radial_integral_1_1_parameters_1abe892fda65f6d5e45eb325bef6de9dae" refkind="member"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structlibecpint_1_1_two_index" kindref="compound">TwoIndex&lt;double&gt;</ref><sp/><ref refid="structlibecpint_1_1_radial_integral_1_1_parameters_1a92a4ce190719b590bfe3612293fd189d" kindref="member">p</ref>,<sp/><ref refid="structlibecpint_1_1_radial_integral_1_1_parameters_1a0e16df411eeef41ec169ed340d38917f" kindref="member">P</ref>,<sp/><ref refid="structlibecpint_1_1_radial_integral_1_1_parameters_1abe892fda65f6d5e45eb325bef6de9dae" kindref="member">P2</ref>,<sp/><ref refid="structlibecpint_1_1_radial_integral_1_1_parameters_1af8e60b2591c97c02c54270c112c8b9b6" kindref="member">K</ref>;</highlight></codeline>
<codeline lineno="169"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/>};</highlight></codeline>
<codeline lineno="177"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><ref refid="structlibecpint_1_1_radial_integral_1_1_parameters" kindref="compound">Parameters</ref><sp/><ref refid="classlibecpint_1_1_radial_integral_1a8fbfa7ff4f2147f12e532bb8c1091e2a" kindref="member">buildParameters</ref>(</highlight></codeline>
<codeline lineno="178"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibecpint_1_1_gaussian_shell" kindref="compound">GaussianShell</ref><sp/>&amp;shellA,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibecpint_1_1_gaussian_shell" kindref="compound">GaussianShell</ref><sp/>&amp;shellB,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibecpint_1_1_shell_pair_data" kindref="compound">ShellPairData</ref><sp/>&amp;data)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
<codeline lineno="179"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight></codeline>
<codeline lineno="192"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibecpint_1_1_radial_integral_1a7fde45f9ebebc6b50cfd98bd93545daa" kindref="member">type1</ref>(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/><ref refid="namespacelibecpint_1a190a564f849660c170e298aba2181d0a" kindref="member">maxL</ref>,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>N,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>offset,</highlight></codeline>
<codeline lineno="193"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibecpint_1_1_e_c_p" kindref="compound">ECP</ref><sp/>&amp;U,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibecpint_1_1_gaussian_shell" kindref="compound">GaussianShell</ref><sp/>&amp;shellA,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibecpint_1_1_gaussian_shell" kindref="compound">GaussianShell</ref><sp/>&amp;shellB,</highlight></codeline>
<codeline lineno="194"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibecpint_1_1_shell_pair_data" kindref="compound">ShellPairData</ref><sp/>&amp;data,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibecpint_1_1_radial_integral_1_1_parameters" kindref="compound">Parameters</ref><sp/>&amp;<sp/>parameters,<sp/><ref refid="structlibecpint_1_1_two_index" kindref="compound">TwoIndex&lt;double&gt;</ref><sp/>&amp;values)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
<codeline lineno="195"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight></codeline>
<codeline lineno="211"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibecpint_1_1_radial_integral_1a0781fd9b60144e1312d547471148c05b" kindref="member">type2</ref>(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>lam,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>l1start,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>l1end,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>l2start,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>l2end,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>N,</highlight></codeline>
<codeline lineno="212"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibecpint_1_1_e_c_p" kindref="compound">ECP</ref><sp/>&amp;U,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibecpint_1_1_gaussian_shell" kindref="compound">GaussianShell</ref><sp/>&amp;shellA,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibecpint_1_1_gaussian_shell" kindref="compound">GaussianShell</ref><sp/>&amp;shellB,</highlight></codeline>
<codeline lineno="213"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibecpint_1_1_shell_pair_data" kindref="compound">ShellPairData</ref><sp/>&amp;data,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibecpint_1_1_radial_integral_1_1_parameters" kindref="compound">Parameters</ref><sp/>&amp;<sp/>parameters,<sp/><ref refid="structlibecpint_1_1_two_index" kindref="compound">TwoIndex&lt;double&gt;</ref><sp/>&amp;values)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
<codeline lineno="214"><highlight class="normal"></highlight></codeline>
<codeline lineno="230"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">void</highlight><highlight class="normal"><sp/><ref refid="classlibecpint_1_1_radial_integral_1a0781fd9b60144e1312d547471148c05b" kindref="member">type2</ref>(</highlight></codeline>
<codeline lineno="231"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/>std::vector&lt;Triple&gt;<sp/>&amp;triples,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>nbase,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>lam,</highlight></codeline>
<codeline lineno="232"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibecpint_1_1_e_c_p" kindref="compound">ECP</ref><sp/>&amp;U,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibecpint_1_1_gaussian_shell" kindref="compound">GaussianShell</ref><sp/>&amp;shellA,<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal"><sp/><ref refid="structlibecpint_1_1_gaussian_shell" kindref="compound">GaussianShell</ref><sp/>&amp;shellB,</highlight></codeline>
<codeline lineno="233"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>A,<sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>B,<sp/><ref refid="structlibecpint_1_1_three_index" kindref="compound">ThreeIndex&lt;double&gt;</ref><sp/>&amp;radials)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
<codeline lineno="234"><highlight class="normal"><sp/><sp/><sp/><sp/></highlight></codeline>
<codeline lineno="250"><highlight class="normal"><sp/><sp/><sp/><sp/><sp/><sp/><sp/><sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/><ref refid="classlibecpint_1_1_radial_integral_1af12d9b2d0943bde72d6d106044423705" kindref="member">estimate_type2</ref>(</highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>N,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>l1,<sp/></highlight><highlight class="keywordtype">int</highlight><highlight class="normal"><sp/>l2,<sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>n,<sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>a,<sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>b,<sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>A,<sp/></highlight><highlight class="keywordtype">double</highlight><highlight class="normal"><sp/>B)<sp/></highlight><highlight class="keyword">const</highlight><highlight class="normal">;</highlight></codeline>
<codeline lineno="251"><highlight class="normal"><sp/><sp/><sp/><sp/>};</highlight></codeline>
<codeline lineno="252"><highlight class="normal"></highlight></codeline>
<codeline lineno="253"><highlight class="normal">}</highlight></codeline>
<codeline lineno="254"><highlight class="normal"></highlight></codeline>
<codeline lineno="255"><highlight class="normal"></highlight><highlight class="preprocessor">#endif</highlight></codeline>
    </programlisting>
    <location file="/Users/robertshaw/devfiles/libecpint/include/libecpint/radial.hpp"/>
  </compounddef>
</doxygen>
