nevpt2
Type |
Status |
|---|---|
CML extraction template |
|
HTML5 representation |
|
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
1<xi:include href="nevpt2/../casscf/cisetup/systemsettings.xml" />
2<xi:include href="nevpt2/../casscf/cisetup/orbitalranges.xml" />
3<xi:include href="nevpt2/nevpt2results.xml" />