l122

Implementation level

Type	Status
CML extraction template
HTML5 representation

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+\=&#123;F,g:counterpoiseEnergy&#125;</record>
<record id="bsseEnergy">\s+Counterpoise\:\s+BSSE\s+energy\s+\=&#123;F,g:counterpoiseBSSE&#125;</record>
<transform process="pullup" xpath="./cml:list/cml:scalar" />
<transform process="delete" xpath="./cml:list[count(*)=0]" />