l502.footer2 ​
Implementation level ​
Type | Status |
---|---|
CML extraction template | |
HTML5 representation |
Template attributes ​
Attribute | Value |
---|---|
source | Gaussian log |
id | l502.footer2 |
repeat | * |
pattern | \s+S\*\*2\sbefore\sannihilation.* |
endPattern | .* |
endOffset | 0 |
xml:base | l502/l502.footer2.xml |
Input ​
S**2 before annihilation 0.7541, after 2.0001
Output text ​
xml
<comment class="example.output" id="l502.footer2">
<module id="spincontamination" cmlx:lineCount="1" cmlx:templateRef="l502.footer2">
<scalar dataType="xsd:double" dictRef="cc:spincontamination">0.7541</scalar>
</module>
</comment>
Template definition ​
xml
<record id="spincontamination">\s+S\*\*2\sbefore\sannihilation{F,cc:spincontamination}.*</record>
<transform process="pullup" xpath="./cml:list/cml:scalar" />
<transform process="delete" xpath="./cml:list[count(*)=0]" />