tddft ​
Implementation level ​
| Type | Status |
|---|---|
| CML extraction template |  |
| HTML5 representation |  |
Template attributes ​
| Attribute | Value |
|---|---|
| source | Orca log |
| id | tddft |
| name | TDDFT 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:base | job/tddft/tddft.xml |
Template definition ​
xml
<templateList> <xi:include href="tddft/excitedstates.xml" /> <xi:include href="tddft/absorptionspec.xml" />
</templateList>