l804_l906

Implementation level

Type

Status

CML extraction template

image1

HTML5 representation

image2
Template attributes

Attribute

Value

source

Gaussian log

id

l804_l906

name

l804_l906

pattern

\sSpin\scomponents\sof\sT\(2\)\sand\sE\(2\).*

endPattern

\s*E2\s*\=\s+.*EUMP2\s*\=.*

endOffset

1

repeat

*

xml:base

l804_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

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

Output text

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

Template definition

1<record repeat="1" />
2<record id="spincomponents" makeArray="true" repeat="*">.*T2\s\={E,cc:T2}E2\={E,cc:E2}</record>
3<templateList>  <template pattern="\s+The\sintegrals\swere\sgenerated.*" endPattern=".*" endOffset="0">    <record repeat="1" />
4        </template>  <template pattern="\s+ANorm\=.*" endPattern="\s*E2\s*\=\s+.*EUMP2\s*\=.*" endOffset="1">    <record id="anorm">\s+ANorm\={E,cc:anorm}</record>    <record id="e2eump2">\s*E2\s*\={E,cc:e2}EUMP2\s*\={E,cc:eump2}</record>    <transform process="pullup" xpath="./cml:list/cml:list/*" repeat="1" />    <transform process="pullup" xpath="./cml:list/cml:scalar" repeat="2" />
5        </template>
6    </templateList>
7<transform process="delete" xpath="./descendant-or-self::cml:list[count(*)=0]" />
8<transform process="delete" xpath="./descendant-or-self::cml:list[count(*)=0]" />
9<transform process="delete" xpath="./descendant-or-self::cml:module[count(*)=0]" />