nevpt2

Implementation level
Type Status
CML extraction template image0
HTML5 representation image1
Template attributes
Attribute Value
source Orca log
id nevpt2
name nevpt2
pattern \s*-{60,}\s*$\s*.\s*NEVPT2\s*.\s*$\s*-{60,}\s*
endPattern \s*-{60,}\s*$\s*Forming\sthe\stransition\sdensity\s*\.\.\.\s*done\sin.*
endPattern2 \s*$\s*$\s*
endOffset 3
repeat *
xml:base job/nevpt2/nevpt2.xml

Template definition.

<xi:include href="nevpt2/../casscf/cisetup/systemsettings.xml" />
<xi:include href="nevpt2/../casscf/cisetup/orbitalranges.xml" />
<xi:include href="nevpt2/nevpt2results.xml" />