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