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<para><parameterlist kind="param"><parameteritem>
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<para>- index of <ref refid="structlibecpint_1_1_e_c_p" kindref="compound">ECP</ref> required </para>
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<simplesect kind="return"><para>a reference to the ith <ref refid="structlibecpint_1_1_e_c_p" kindref="compound">ECP</ref> in basis </para>
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<para>Vector of ECPs. </para>
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<para>List of atom indices corresponding to the ECPs in basis. </para>
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<para>Number of ECPs in basis. </para>
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<para>Maximum angular momentum in the <ref refid="structlibecpint_1_1_e_c_p" kindref="compound">ECP</ref> basis. </para>
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<para>A map of atomic number to the number of electrons in core of <ref refid="structlibecpint_1_1_e_c_p" kindref="compound">ECP</ref> for that atom. </para>
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<para>Constructs an empty <ref refid="classlibecpint_1_1_e_c_p_basis" kindref="compound">ECPBasis</ref> (N = maxL = 0) </para>
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          <type>const <ref refid="structlibecpint_1_1_e_c_p" kindref="compound">ECP</ref> &amp;</type>
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<para>Adds an <ref refid="structlibecpint_1_1_e_c_p" kindref="compound">ECP</ref> to basis. <parameterlist kind="param"><parameteritem>
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<parametername>U</parametername>
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<para>- the <ref refid="structlibecpint_1_1_e_c_p" kindref="compound">ECP</ref> to be added </para>
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<parametername>atom</parametername>
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<para>- the index of that atom on which U is located </para>
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<para><parameterlist kind="param"><parameteritem>
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<parametername>q</parametername>
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<para>- an atomic number </para>
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<para><parameterlist kind="param"><parameteritem>
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<para>- the index of <ref refid="structlibecpint_1_1_e_c_p" kindref="compound">ECP</ref> of interest </para>
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<simplesect kind="return"><para>the index of the atom on which the ith <ref refid="structlibecpint_1_1_e_c_p" kindref="compound">ECP</ref> is located </para>
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<para><simplesect kind="return"><para>the maximum angular momentum <ref refid="structlibecpint_1_1_gaussian_e_c_p" kindref="compound">GaussianECP</ref> in the entire <ref refid="structlibecpint_1_1_e_c_p" kindref="compound">ECP</ref> basis </para>
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<para><simplesect kind="return"><para>the number of ECPs in basis </para>
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<para>Creates and adds an <ref refid="structlibecpint_1_1_e_c_p" kindref="compound">ECP</ref> object to the basis by reading from the <ref refid="structlibecpint_1_1_e_c_p" kindref="compound">ECP</ref> library <parameterlist kind="param"><parameteritem>
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<parametername>q</parametername>
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<para>- the atomic number of the atom </para>
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<para>- the [x, y, z] coordinates (in bohr) of the <ref refid="structlibecpint_1_1_e_c_p" kindref="compound">ECP</ref> </para>
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<parametername>filename</parametername>
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<para>- path to the XML file containing the basis specification </para>
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<para>A lightweight container for a basis set of <ref refid="structlibecpint_1_1_e_c_p" kindref="compound">ECP</ref> objects. </para>
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