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l804_l906 ​

Implementation level ​

TypeStatus
CML extraction template
HTML5 representation

Template attributes ​

AttributeValue
sourceGaussian log
idl804_l906
namel804_l906
pattern\sSpin\scomponents\sof\sT\(2\)\sand\sE\(2\).*
endPattern\s*E2\s*\=\s+.*EUMP2\s*\=.*
endOffset1
repeat*
xml:basel804_l906.xml

Input ​

         Spin components of T(2) and E(2):
         alpha-alpha T2 =       0.5715273911D-02 E2=     -0.1593530293D-01
         alpha-beta  T2 =       0.4459296127D-01 E2=     -0.1351390998D+00
         beta-beta   T2 =       0.5715273911D-02 E2=     -0.1593530293D-01
         ANorm=    0.1027630045D+01
         E2 =    -0.1670097057D+00 EUMP2 =    -0.40365588064343D+02

Input ​

        Spin components of T(2) and E(2):
            alpha-alpha T2 =       0.0000000000D+00 E2=      0.0000000000D+00
            alpha-beta  T2 =       0.4915594995D-02 E2=     -0.1428945585D-01
            beta-beta   T2 =       0.0000000000D+00 E2=      0.0000000000D+00
        The integrals were generated   1 times.
        ANorm=    0.1002454785D+01
        E2 =    -0.1428945585D-01 EUMP2 =    -0.11199239664352D+01

Output text ​

xml
<comment class="example.output" id="l804_l906">
        <module cmlx:lineCount="6" cmlx:templateRef="l804_l906">
           <list cmlx:lineCount="3" cmlx:templateRef="spincomponents">
            <array dataType="xsd:double" dictRef="cc:T2" size="3">0.005715273911 0.04459296127 0.005715273911</array>
            <array dataType="xsd:double" dictRef="cc:E2" size="3">-0.01593530293 -0.1351390998 -0.01593530293</array>
           </list>
           <scalar dataType="xsd:double" dictRef="cc:anorm">1.027630045</scalar>
           <scalar dataType="xsd:double" dictRef="cc:e2">-0.1670097057</scalar>
           <scalar dataType="xsd:double" dictRef="cc:eump2">-40.365588064343</scalar>
        </module>      
    </comment>

Output text ​

xml
<comment class="example.output" id="l804_l906a">
        <module cmlx:lineCount="7" cmlx:templateRef="l804_l906">      
           <list cmlx:lineCount="3" cmlx:templateRef="spincomponents">
            <array dataType="xsd:double" dictRef="cc:T2" size="3">0.0 0.004915594995 0.0</array>
            <array dataType="xsd:double" dictRef="cc:E2" size="3">0.0 -0.01428945585 0.0</array>
           </list>
           <scalar dataType="xsd:double" dictRef="cc:anorm">1.002454785</scalar>
           <scalar dataType="xsd:double" dictRef="cc:e2">-0.01428945585</scalar>
           <scalar dataType="xsd:double" dictRef="cc:eump2">-1.1199239664352</scalar>
        </module>
    </comment>

Template definition ​

xml
<record repeat="1" />
<record id="spincomponents" makeArray="true" repeat="*">.*T2\s\=&#123;E,cc:T2&#125;E2\=&#123;E,cc:E2&#125;</record>
<templateList>  <template pattern="\s+The\sintegrals\swere\sgenerated.*" endPattern=".*" endOffset="0">    <record repeat="1" />
        </template>  <template pattern="\s+ANorm\=.*" endPattern="\s*E2\s*\=\s+.*EUMP2\s*\=.*" endOffset="1">    <record id="anorm">\s+ANorm\=&#123;E,cc:anorm&#125;</record>    <record id="e2eump2">\s*E2\s*\=&#123;E,cc:e2&#125;EUMP2\s*\=&#123;E,cc:eump2&#125;</record>    <transform process="pullup" xpath="./cml:list/cml:list/*" repeat="1" />    <transform process="pullup" xpath="./cml:list/cml:scalar" repeat="2" />
        </template>   
    </templateList>
<transform process="delete" xpath="./descendant-or-self::cml:list[count(*)=0]" />
<transform process="delete" xpath="./descendant-or-self::cml:list[count(*)=0]" />
<transform process="delete" xpath="./descendant-or-self::cml:module[count(*)=0]" />