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preddelta-d3e17840.rst

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preddelta

/codes/gaussian/l103.catchall-d3e17851

Implementation level
Type Status
CML extraction template image1
HTML5 representation image2
Template attributes
Attribute Value
source Gaussian log
id preddelta
repeat *
name Predicted change in Energy
pattern \s*Predicted change in Energy.*
endPattern \s*.*
endPattern2 ~
xml:base l103/l103.preddelta.xml

Input

Predicted change in Energy=-9.782485D-04

Output text

<comment class="example.output" id="l103.preddelta">
    <module cmlx:templateRef="preddelta">
      <list cmlx:templateRef="predicted">
        <scalar dataType="xsd:double" dictRef="g:predchange">-9.782485E-4</scalar>
      </list>
    </module>
  </comment>

Template definition

<record id="predicted">\s*Predicted change in Energy={E,g:predchange}.*</record>
<templateList>  <xi:include href="l103/l103.catchall.xml" />
  </templateList>