caspt2.root

Implementation level
Type Status
CML extraction template image0
HTML5 representation image1
Template attributes
Attribute Value
source MOLCAS log
id caspt2.root
pattern \s *(++)?s*CASPT2scomputation.*
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{I,m:rootnumber}</record>