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    <compoundname>libecpint::GaussianShell</compoundname>
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<para>Exponents of primitives. </para>
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<para>Coefficients in contraction of primitives. </para>
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<para>Pointer to xyz coordinates of basis function (pointer so as to update if geometry changes) </para>
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<para>true if the centerVec is a reference to localCenter, false otherwise </para>
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<para>Local copy of coords if there is nothing else to point to. </para>
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<para>the minimum exponent in the shell </para>
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<para>Angular momentum of shell. </para>
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<para>internal id of the atom the shell is on </para>
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<para>Constructs a <ref refid="structlibecpint_1_1_gaussian_shell" kindref="compound">GaussianShell</ref> with pointer to coords <parameterlist kind="param"><parameteritem>
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<parametername>A</parametername>
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<para>- xyz coordinates of shell </para>
</parameterdescription>
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<parameteritem>
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<parametername>l</parametername>
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<para>- angular momentum of shell </para>
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<para>Constructs a <ref refid="structlibecpint_1_1_gaussian_shell" kindref="compound">GaussianShell</ref> with a local copy of coords <parameterlist kind="param"><parameteritem>
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<parametername>A</parametername>
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<para>- xyz coordinates of shell </para>
</parameterdescription>
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<parameteritem>
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<parametername>l</parametername>
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<para>- angular momentum of shell </para>
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<para>Copy constructor for a <ref refid="structlibecpint_1_1_gaussian_shell" kindref="compound">GaussianShell</ref> <parameterlist kind="param"><parameteritem>
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<para>- reference to the <ref refid="structlibecpint_1_1_gaussian_shell" kindref="compound">GaussianShell</ref> to be copied </para>
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<para>Adds a Gaussian primitive to the shell <parameterlist kind="param"><parameteritem>
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<parametername>exp</parametername>
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<para>- the exponent </para>
</parameterdescription>
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<parameteritem>
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<parametername>c</parametername>
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<para>- the contraction coefficient </para>
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<para><simplesect kind="return"><para>the number of primitives </para>
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<para><simplesect kind="return"><para>the number of cartesian basis functions in a shell with this angular momentum </para>
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<para><simplesect kind="return"><para>the xyz coordinates of the shell </para>
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          <type>int</type>
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        </briefdescription>
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<para><parameterlist kind="param"><parameteritem>
<parameternamelist>
<parametername>i</parametername>
</parameternamelist>
<parameterdescription>
<para>- the index of the primitive of interest </para>
</parameterdescription>
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<simplesect kind="return"><para>the exponent of the ith primitive </para>
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<para><parameterlist kind="param"><parameteritem>
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<parameterdescription>
<para>- the index of the primitive of interest </para>
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<simplesect kind="return"><para>the contraction coefficient of the ith primitive </para>
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<para><simplesect kind="return"><para>the angular momentum of the shell </para>
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<para><simplesect kind="return"><para>a copy of this <ref refid="structlibecpint_1_1_gaussian_shell" kindref="compound">GaussianShell</ref> </para>
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<para>Lightweight container for contracted shell of Gaussian basis functions. </para>
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  </compounddef>
</doxygen>
