basisecp

Implementation level
Type Status
CML extraction template image0
HTML5 representation image1
Template attributes
Attribute Value
source Orca log
id basisecp
name ECP Parameter Information
pattern \s*-{20}.*$ s*ECPsPARAMETERsINFORMATION.*
endPattern \s*Atom.*$s*
endPattern2 \s*$s*-{20}.*
endPattern3 \s*$s*
endPattern4 ~
endOffset 1
repeat *
xml:base job/basisecp.xml

Input.

-------------------------
ECP PARAMETER INFORMATION
-------------------------

 Group 1, Type Ru ECP SD(28,MWB) (replacing 28 core electrons, lmax=4)

Atom   0Ru   ECP group =>   1

Output text.

<comment class="example.output" id="basisecp">
        <module cmlx:templateRef="basisecp">
            <module cmlx:templateRef="basisgroups">
               <list cmlx:templateRef="group">
                  <list>
                     <scalar dataType="xsd:integer" dictRef="o:group">1</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:elementType">Ru</scalar>
                     <scalar dataType="xsd:string" dictRef="o:ecptype">ECP SD(28,MWB)</scalar>
                  </list>
               </list>
            </module>
            <module cmlx:templateRef="atombasis">
               <list cmlx:templateRef="missingID">
                  <list>
                     <scalar dataType="xsd:integer" dictRef="cc:serial">0</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:elementType">Ru</scalar>
                     <scalar dataType="xsd:integer" dictRef="o:group">1</scalar>
                  </list>
               </list>
            </module>
         </module>
    </comment>

Template definition.

<templateList>  <template id="basisgroups" pattern="\s*Group.*" endPattern="\s*" endPattern2="~">    <record id="group" repeat="*">\s*Group{I,o:group},\s*Type{A,cc:elementType}{X,o:ecptype}\(replacing.*</record>
        </template>  <template id="atombasis" pattern="\s*Atom.*" endPattern=".*" endPattern2="~" repeat="*">    <record repeat="*">\s*Atom{I,cc:serial}{A,cc:elementType}ECP\sgroup\s=>{I,o:group}</record>
        </template>
    </templateList>