preddelta

Gaussian log

l103.catchall

Table 207. Implementation level

TypeStatus
CML extraction template

Total implementation

HTML5 representation

None implementation


Table attributesTable. Template attributes

AttributeValue
source Gaussian log
idpreddelta
repeat*
namePredicted change in Energy
pattern\s*Predicted change in Energy.*
endPattern\s*.*
endPattern2~
xml:basel103/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>