caspt2.root

Implementation level

Type	Status
CML extraction template
HTML5 representation

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

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

Template definition

<record>\s*(\+\+)?\s*CASPT2\scomputation&#123;I,m:rootnumber&#125;</record>