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tddft ​

Implementation level ​

TypeStatus
CML extraction template
HTML5 representation

Template attributes ​

AttributeValue
sourceOrca log
idtddft
nameTDDFT calculation
pattern\s*-{40,}\s*$\s*ORCA\s(TD-DFT(/TDA)?|CIS)\sCALCULATION.*
endPattern\s*\*\*\*\sORCA-CIS/TD-DFT\sFINISHED\sWITHOUT\sERROR\s\*\*\*\s*
endPattern2~
repeat*
xml:basejob/tddft/tddft.xml

Template definition ​

xml
<templateList>  <xi:include href="tddft/excitedstates.xml" />  <xi:include href="tddft/absorptionspec.xml" />
    </templateList>