l101.redundantcoords ​
Implementation level ​
Type | Status |
---|---|
CML extraction template | |
HTML5 representation |
Template attributes ​
Attribute | Value |
---|---|
source | Gaussian log |
id | l101.redundantcoords |
pattern | \s*Redundant internal coordinates.*$.* |
endPattern | .* |
xml:base | l101/l101.redundantcoords.xml |
Input ​
Redundant internal coordinates taken from checkpoint file:
/tmp/webmo/1/Gau-28333.chk
Output text ​
xml
<comment class="example.output" id="l1.redundantcoords">
<module cmlx:templateRef="l101.redundantcoords">
<scalar dataType="xsd:string" dictRef="g:redundant" cmlx:templateRef="redundant">Redundant internal coordinates taken from checkpoint file:</scalar>
<scalar dataType="xsd:string" dictRef="g:checkpoint" cmlx:templateRef="checkpoint">/tmp/webmo/1/Gau-28333.chk</scalar>
</module>
</comment>
Template definition ​
xml
<record id="redundant">{X,g:redundant}</record>
<record id="checkpoint">{X,g:checkpoint}</record>
<transform process="pullupSingleton" xpath=".//cml:list" />