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*$s*.s*NEVPT2s*.s*$s*-{60,}s*
endPattern \s*-{6 0,}s*$s*Formingsthestransitio nsdensitys*…s*donesin.*
endPattern2 \s*$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" />