tddft

• excitedstates
• absorptionspec

---

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

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