caspt2.root

Implementation level

Type

Status

CML extraction template

image1

HTML5 representation

image2
Template attributes

Attribute

Value

source

MOLCAS log

id

caspt2.root

pattern

\s*(\+\+)?\s*CASPT2\scomputation.*

endPattern

.*

repeat

*

xml:base

modules/caspt2/roots.xml

Input

++ CASPT2 computation    5

Output text

1<comment class="example.output" id="caspt2.root">
2         <module cmlx:templateRef="caspt2.root">
3            <list cmlx:templateRef="missingID">
4               <scalar dataType="xsd:integer" dictRef="m:rootnumber">5</scalar>
5            </list>
6         </module>
7    </comment>

Template definition

1<record>\s*(\+\+)?\s*CASPT2\scomputation{I,m:rootnumber}</record>