tddft

Table of Contents

excitedstates
absorptionspec

Table 431. Implementation level

TypeStatus
CML extraction template

Total implementation

HTML5 representation

Partial implementation


Table attributesTable. Template attributes

AttributeValue
source Orca 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:basetddft/tddft.xml