l122

Implementation level
Type Status
CML extraction template image0
HTML5 representation image1
Template attributes
Attribute Value
source Gaussian log
id l122
name l122
pattern \s+Counterpoise:scorrected.*
endPattern \s+Counterpoise:sBSSE.*
endOffset 1
repeat *
xml:base l122.xml

Input.

Counterpoise: corrected energy =   -5625.317263873216
Counterpoise: BSSE energy =       0.011608356423

Output text.

<comment class="example.output" id="l122">
      <module cmlx:lineCount="2" cmlx:templateRef="l122">
        <scalar dataType="xsd:double" dictRef="g:counterpoiseEnergy">-5625.317263873216</scalar>
        <scalar dataType="xsd:double" dictRef="g:counterpoiseBSSE">0.011608356423</scalar>
      </module>
    </comment>

Template definition.

<record id="correctedEnergy">\s+Counterpoise\:\scorrected\senergy\s+\={F,g:counterpoiseEnergy}</record>
<record id="bsseEnergy">\s+Counterpoise\:\s+BSSE\s+energy\s+\={F,g:counterpoiseBSSE}</record>
<transform process="pullup" xpath="./cml:list/cml:scalar" />
<transform process="delete" xpath="./cml:list[count(*)=0]" />