caspt2.root

Table 621. Implementation level

TypeStatus
CML extraction template

Total implementation

HTML5 representation

Total implementation


Table attributesTable. Template attributes

AttributeValue
source MOLCAS log
idcaspt2.root
pattern\s*(\+\+)?\s*CASPT2\scomputation.*
endPattern.*
repeat*
xml:basemodules/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>