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l101.redundantcoords ​

Implementation level ​

TypeStatus
CML extraction template
HTML5 representation

Template attributes ​

AttributeValue
sourceGaussian log
idl101.redundantcoords
pattern\s*Redundant internal coordinates.*$.*
endPattern.*
xml:basel101/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">&#123;X,g:redundant&#125;</record>
<record id="checkpoint">&#123;X,g:checkpoint&#125;</record>
<transform process="pullupSingleton" xpath=".//cml:list" />