<?xml version='1.0' encoding='UTF-8' standalone='no'?>
<doxygen xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="compound.xsd" version="1.8.20" xml:lang="en-US">
  <compounddef id="structlibecpint_1_1_shell_pair_data" kind="class" language="C++" prot="public">
    <compoundname>libecpint::ShellPairData</compoundname>
    <includes refid="gshell_8hpp" local="no">gshell.hpp</includes>
      <sectiondef kind="public-attrib">
      <memberdef kind="variable" id="structlibecpint_1_1_shell_pair_data_1a55c45f1c204af209b42a1b02697e4c1d" prot="public" static="no" mutable="no">
        <type>int</type>
        <definition>int libecpint::ShellPairData::LA</definition>
        <argsstring></argsstring>
        <name>LA</name>
        <briefdescription>
<para>Angular momentum of shellA, shifted if deriv &gt; 0. </para>
        </briefdescription>
        <detaileddescription>
        </detaileddescription>
        <inbodydescription>
        </inbodydescription>
        <location file="/Users/robertshaw/devfiles/libecpint/include/libecpint/gshell.hpp" line="140" column="5" bodyfile="/Users/robertshaw/devfiles/libecpint/include/libecpint/gshell.hpp" bodystart="140" bodyend="-1"/>
      </memberdef>
      <memberdef kind="variable" id="structlibecpint_1_1_shell_pair_data_1ac5e107efbf69f950bb7e0bf70df1e1fc" prot="public" static="no" mutable="no">
        <type>int</type>
        <definition>int libecpint::ShellPairData::LB</definition>
        <argsstring></argsstring>
        <name>LB</name>
        <briefdescription>
<para>Angular momentum of shellB, shifted if deriv &gt; 0. </para>
        </briefdescription>
        <detaileddescription>
        </detaileddescription>
        <inbodydescription>
        </inbodydescription>
        <location file="/Users/robertshaw/devfiles/libecpint/include/libecpint/gshell.hpp" line="141" column="5" bodyfile="/Users/robertshaw/devfiles/libecpint/include/libecpint/gshell.hpp" bodystart="141" bodyend="-1"/>
      </memberdef>
      <memberdef kind="variable" id="structlibecpint_1_1_shell_pair_data_1ab98896b5598353c208092f517f500fc9" prot="public" static="no" mutable="no">
        <type>int</type>
        <definition>int libecpint::ShellPairData::maxLBasis</definition>
        <argsstring></argsstring>
        <name>maxLBasis</name>
        <briefdescription>
<para>Maximum angular momentum in the orbital basis. </para>
        </briefdescription>
        <detaileddescription>
        </detaileddescription>
        <inbodydescription>
        </inbodydescription>
        <location file="/Users/robertshaw/devfiles/libecpint/include/libecpint/gshell.hpp" line="142" column="5" bodyfile="/Users/robertshaw/devfiles/libecpint/include/libecpint/gshell.hpp" bodystart="142" bodyend="-1"/>
      </memberdef>
      <memberdef kind="variable" id="structlibecpint_1_1_shell_pair_data_1a94ebbd7fee35f60f77492663e13e715f" prot="public" static="no" mutable="no">
        <type>int</type>
        <definition>int libecpint::ShellPairData::ncartA</definition>
        <argsstring></argsstring>
        <name>ncartA</name>
        <briefdescription>
<para>No. of cartesian BFs in shellA. </para>
        </briefdescription>
        <detaileddescription>
        </detaileddescription>
        <inbodydescription>
        </inbodydescription>
        <location file="/Users/robertshaw/devfiles/libecpint/include/libecpint/gshell.hpp" line="143" column="5" bodyfile="/Users/robertshaw/devfiles/libecpint/include/libecpint/gshell.hpp" bodystart="143" bodyend="-1"/>
      </memberdef>
      <memberdef kind="variable" id="structlibecpint_1_1_shell_pair_data_1a7375bb4a1a452df895172f9731c8fa32" prot="public" static="no" mutable="no">
        <type>int</type>
        <definition>int libecpint::ShellPairData::ncartB</definition>
        <argsstring></argsstring>
        <name>ncartB</name>
        <briefdescription>
<para>No. of cartesian BFs in shellB <linebreak/>
 </para>
        </briefdescription>
        <detaileddescription>
        </detaileddescription>
        <inbodydescription>
        </inbodydescription>
        <location file="/Users/robertshaw/devfiles/libecpint/include/libecpint/gshell.hpp" line="144" column="5" bodyfile="/Users/robertshaw/devfiles/libecpint/include/libecpint/gshell.hpp" bodystart="144" bodyend="-1"/>
      </memberdef>
      <memberdef kind="variable" id="structlibecpint_1_1_shell_pair_data_1ac43603240b081b43b4f512d1b1acc31a" prot="public" static="no" mutable="no">
        <type>double</type>
        <definition>double libecpint::ShellPairData::A[3]</definition>
        <argsstring>[3]</argsstring>
        <name>A</name>
        <briefdescription>
<para>xyz coords of shellA relative to <ref refid="structlibecpint_1_1_e_c_p" kindref="compound">ECP</ref> </para>
        </briefdescription>
        <detaileddescription>
        </detaileddescription>
        <inbodydescription>
        </inbodydescription>
        <location file="/Users/robertshaw/devfiles/libecpint/include/libecpint/gshell.hpp" line="145" column="8" bodyfile="/Users/robertshaw/devfiles/libecpint/include/libecpint/gshell.hpp" bodystart="145" bodyend="-1"/>
      </memberdef>
      <memberdef kind="variable" id="structlibecpint_1_1_shell_pair_data_1a20bca75c83dc42e380791903c829afce" prot="public" static="no" mutable="no">
        <type>double</type>
        <definition>double libecpint::ShellPairData::B[3]</definition>
        <argsstring>[3]</argsstring>
        <name>B</name>
        <briefdescription>
<para>xyz coords of shellB relative to <ref refid="structlibecpint_1_1_e_c_p" kindref="compound">ECP</ref> </para>
        </briefdescription>
        <detaileddescription>
        </detaileddescription>
        <inbodydescription>
        </inbodydescription>
        <location file="/Users/robertshaw/devfiles/libecpint/include/libecpint/gshell.hpp" line="146" column="8" bodyfile="/Users/robertshaw/devfiles/libecpint/include/libecpint/gshell.hpp" bodystart="146" bodyend="-1"/>
      </memberdef>
      <memberdef kind="variable" id="structlibecpint_1_1_shell_pair_data_1a84c698aa2367eabcef0b4317c69f5a42" prot="public" static="no" mutable="no">
        <type>double</type>
        <definition>double libecpint::ShellPairData::A2</definition>
        <argsstring></argsstring>
        <name>A2</name>
        <briefdescription>
<para>Square of distance from <ref refid="structlibecpint_1_1_e_c_p" kindref="compound">ECP</ref> to shellA. </para>
        </briefdescription>
        <detaileddescription>
        </detaileddescription>
        <inbodydescription>
        </inbodydescription>
        <location file="/Users/robertshaw/devfiles/libecpint/include/libecpint/gshell.hpp" line="147" column="8" bodyfile="/Users/robertshaw/devfiles/libecpint/include/libecpint/gshell.hpp" bodystart="147" bodyend="-1"/>
      </memberdef>
      <memberdef kind="variable" id="structlibecpint_1_1_shell_pair_data_1a1fc38f370c8ff674e6cfeefeaf975088" prot="public" static="no" mutable="no">
        <type>double</type>
        <definition>double libecpint::ShellPairData::Am</definition>
        <argsstring></argsstring>
        <name>Am</name>
        <briefdescription>
<para>Magnitude of distance from <ref refid="structlibecpint_1_1_e_c_p" kindref="compound">ECP</ref> to shellA. </para>
        </briefdescription>
        <detaileddescription>
        </detaileddescription>
        <inbodydescription>
        </inbodydescription>
        <location file="/Users/robertshaw/devfiles/libecpint/include/libecpint/gshell.hpp" line="148" column="8" bodyfile="/Users/robertshaw/devfiles/libecpint/include/libecpint/gshell.hpp" bodystart="148" bodyend="-1"/>
      </memberdef>
      <memberdef kind="variable" id="structlibecpint_1_1_shell_pair_data_1a9600ebca9c4bcc09c6fdae223ec9fb09" prot="public" static="no" mutable="no">
        <type>double</type>
        <definition>double libecpint::ShellPairData::B2</definition>
        <argsstring></argsstring>
        <name>B2</name>
        <briefdescription>
<para>Square of distance from <ref refid="structlibecpint_1_1_e_c_p" kindref="compound">ECP</ref> to shellB. </para>
        </briefdescription>
        <detaileddescription>
        </detaileddescription>
        <inbodydescription>
        </inbodydescription>
        <location file="/Users/robertshaw/devfiles/libecpint/include/libecpint/gshell.hpp" line="149" column="8" bodyfile="/Users/robertshaw/devfiles/libecpint/include/libecpint/gshell.hpp" bodystart="149" bodyend="-1"/>
      </memberdef>
      <memberdef kind="variable" id="structlibecpint_1_1_shell_pair_data_1ac062ca4fde545f74f14601cb6cac1587" prot="public" static="no" mutable="no">
        <type>double</type>
        <definition>double libecpint::ShellPairData::Bm</definition>
        <argsstring></argsstring>
        <name>Bm</name>
        <briefdescription>
<para>Magnitude of distance from <ref refid="structlibecpint_1_1_e_c_p" kindref="compound">ECP</ref> to shellB. </para>
        </briefdescription>
        <detaileddescription>
        </detaileddescription>
        <inbodydescription>
        </inbodydescription>
        <location file="/Users/robertshaw/devfiles/libecpint/include/libecpint/gshell.hpp" line="150" column="8" bodyfile="/Users/robertshaw/devfiles/libecpint/include/libecpint/gshell.hpp" bodystart="150" bodyend="-1"/>
      </memberdef>
      <memberdef kind="variable" id="structlibecpint_1_1_shell_pair_data_1a3f78ab3a033791dbd8a6cd676c2a904d" prot="public" static="no" mutable="no">
        <type>double</type>
        <definition>double libecpint::ShellPairData::RAB2</definition>
        <argsstring></argsstring>
        <name>RAB2</name>
        <briefdescription>
<para>Square of distance between shells A and B. </para>
        </briefdescription>
        <detaileddescription>
        </detaileddescription>
        <inbodydescription>
        </inbodydescription>
        <location file="/Users/robertshaw/devfiles/libecpint/include/libecpint/gshell.hpp" line="151" column="8" bodyfile="/Users/robertshaw/devfiles/libecpint/include/libecpint/gshell.hpp" bodystart="151" bodyend="-1"/>
      </memberdef>
      <memberdef kind="variable" id="structlibecpint_1_1_shell_pair_data_1ab2f6be977b253b7726a8082af3ed00e8" prot="public" static="no" mutable="no">
        <type>double</type>
        <definition>double libecpint::ShellPairData::RABm</definition>
        <argsstring></argsstring>
        <name>RABm</name>
        <briefdescription>
<para>Magnitude of distance between shells A and B. </para>
        </briefdescription>
        <detaileddescription>
        </detaileddescription>
        <inbodydescription>
        </inbodydescription>
        <location file="/Users/robertshaw/devfiles/libecpint/include/libecpint/gshell.hpp" line="152" column="8" bodyfile="/Users/robertshaw/devfiles/libecpint/include/libecpint/gshell.hpp" bodystart="152" bodyend="-1"/>
      </memberdef>
      <memberdef kind="variable" id="structlibecpint_1_1_shell_pair_data_1aac24de62e12b6daa7c5f7280c50c26f0" prot="public" static="no" mutable="no">
        <type>bool</type>
        <definition>bool libecpint::ShellPairData::A_on_ecp</definition>
        <argsstring></argsstring>
        <name>A_on_ecp</name>
        <briefdescription>
<para>True if Am == 0. </para>
        </briefdescription>
        <detaileddescription>
        </detaileddescription>
        <inbodydescription>
        </inbodydescription>
        <location file="/Users/robertshaw/devfiles/libecpint/include/libecpint/gshell.hpp" line="153" column="6" bodyfile="/Users/robertshaw/devfiles/libecpint/include/libecpint/gshell.hpp" bodystart="153" bodyend="-1"/>
      </memberdef>
      <memberdef kind="variable" id="structlibecpint_1_1_shell_pair_data_1ad1041f05603bf28fcb8e29074702be18" prot="public" static="no" mutable="no">
        <type>bool</type>
        <definition>bool libecpint::ShellPairData::B_on_ecp</definition>
        <argsstring></argsstring>
        <name>B_on_ecp</name>
        <briefdescription>
<para>True if Bm == 0. </para>
        </briefdescription>
        <detaileddescription>
        </detaileddescription>
        <inbodydescription>
        </inbodydescription>
        <location file="/Users/robertshaw/devfiles/libecpint/include/libecpint/gshell.hpp" line="154" column="6" bodyfile="/Users/robertshaw/devfiles/libecpint/include/libecpint/gshell.hpp" bodystart="154" bodyend="-1"/>
      </memberdef>
      </sectiondef>
    <briefdescription>
<para>Stores the (shifted, for derivs) angular momenta, number of cartesians in a shell pair, and shifted centers. </para>
    </briefdescription>
    <detaileddescription>
    </detaileddescription>
    <location file="/Users/robertshaw/devfiles/libecpint/include/libecpint/gshell.hpp" line="139" column="1" bodyfile="/Users/robertshaw/devfiles/libecpint/include/libecpint/gshell.hpp" bodystart="139" bodyend="155"/>
    <listofallmembers>
      <member refid="structlibecpint_1_1_shell_pair_data_1ac43603240b081b43b4f512d1b1acc31a" prot="public" virt="non-virtual"><scope>libecpint::ShellPairData</scope><name>A</name></member>
      <member refid="structlibecpint_1_1_shell_pair_data_1a84c698aa2367eabcef0b4317c69f5a42" prot="public" virt="non-virtual"><scope>libecpint::ShellPairData</scope><name>A2</name></member>
      <member refid="structlibecpint_1_1_shell_pair_data_1aac24de62e12b6daa7c5f7280c50c26f0" prot="public" virt="non-virtual"><scope>libecpint::ShellPairData</scope><name>A_on_ecp</name></member>
      <member refid="structlibecpint_1_1_shell_pair_data_1a1fc38f370c8ff674e6cfeefeaf975088" prot="public" virt="non-virtual"><scope>libecpint::ShellPairData</scope><name>Am</name></member>
      <member refid="structlibecpint_1_1_shell_pair_data_1a20bca75c83dc42e380791903c829afce" prot="public" virt="non-virtual"><scope>libecpint::ShellPairData</scope><name>B</name></member>
      <member refid="structlibecpint_1_1_shell_pair_data_1a9600ebca9c4bcc09c6fdae223ec9fb09" prot="public" virt="non-virtual"><scope>libecpint::ShellPairData</scope><name>B2</name></member>
      <member refid="structlibecpint_1_1_shell_pair_data_1ad1041f05603bf28fcb8e29074702be18" prot="public" virt="non-virtual"><scope>libecpint::ShellPairData</scope><name>B_on_ecp</name></member>
      <member refid="structlibecpint_1_1_shell_pair_data_1ac062ca4fde545f74f14601cb6cac1587" prot="public" virt="non-virtual"><scope>libecpint::ShellPairData</scope><name>Bm</name></member>
      <member refid="structlibecpint_1_1_shell_pair_data_1a55c45f1c204af209b42a1b02697e4c1d" prot="public" virt="non-virtual"><scope>libecpint::ShellPairData</scope><name>LA</name></member>
      <member refid="structlibecpint_1_1_shell_pair_data_1ac5e107efbf69f950bb7e0bf70df1e1fc" prot="public" virt="non-virtual"><scope>libecpint::ShellPairData</scope><name>LB</name></member>
      <member refid="structlibecpint_1_1_shell_pair_data_1ab98896b5598353c208092f517f500fc9" prot="public" virt="non-virtual"><scope>libecpint::ShellPairData</scope><name>maxLBasis</name></member>
      <member refid="structlibecpint_1_1_shell_pair_data_1a94ebbd7fee35f60f77492663e13e715f" prot="public" virt="non-virtual"><scope>libecpint::ShellPairData</scope><name>ncartA</name></member>
      <member refid="structlibecpint_1_1_shell_pair_data_1a7375bb4a1a452df895172f9731c8fa32" prot="public" virt="non-virtual"><scope>libecpint::ShellPairData</scope><name>ncartB</name></member>
      <member refid="structlibecpint_1_1_shell_pair_data_1a3f78ab3a033791dbd8a6cd676c2a904d" prot="public" virt="non-virtual"><scope>libecpint::ShellPairData</scope><name>RAB2</name></member>
      <member refid="structlibecpint_1_1_shell_pair_data_1ab2f6be977b253b7726a8082af3ed00e8" prot="public" virt="non-virtual"><scope>libecpint::ShellPairData</scope><name>RABm</name></member>
    </listofallmembers>
  </compounddef>
</doxygen>
