l122

Implementation level

Type

Status

CML extraction template

image1

HTML5 representation

image2
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

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

Template definition

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