l401.alphabeta

Implementation level

Type	Status
CML extraction template
HTML5 representation

Template attributes

Attribute	Value
source	Gaussian log
id	l401.alphabeta
name	Alpha or Beta orbitals
repeat	*
pattern	\s*((Alpha)|(Beta))\s+Orbitals:\s*
endPattern	\s*\(.*$\s\S.*
endOffset	1
xml:base	l401/l401.alphabeta.xml

Input

 Alpha Orbitals:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Beta  Orbitals:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)

Output text

<comment class="example.output" id="l401.alphabeta">
    <module cmlx:templateRef="l401.alphabeta">
      <list cmlx:templateRef="alphabeta">
        <scalar dataType="xsd:string" dictRef="g:l401.type">Alpha</scalar>
      </list>
      <list cmlx:templateRef="l401">
        <array dataType="xsd:string" size="13" dictRef="g:l401">Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)</array>
        <array dataType="xsd:string" size="12" dictRef="g:l401">(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)</array>
        <array dataType="xsd:string" size="12" dictRef="g:l401">(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)</array>
        <array dataType="xsd:string" size="2" dictRef="g:l401">(A) (A)</array>
        <array dataType="xsd:string" size="13" dictRef="g:l401">Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)</array>
        <array dataType="xsd:string" size="12" dictRef="g:l401">(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)</array>
        <array dataType="xsd:string" size="12" dictRef="g:l401">(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)</array>
        <array dataType="xsd:string" size="4" dictRef="g:l401">(A) (A) (A) (A)</array>
        <array dataType="xsd:string" size="2" dictRef="g:l401">Beta Orbitals:</array>
        <array dataType="xsd:string" size="13" dictRef="g:l401">Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)</array>
        <array dataType="xsd:string" size="12" dictRef="g:l401">(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)</array>
        <array dataType="xsd:string" size="12" dictRef="g:l401">(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)</array>
        <array dataType="xsd:string" size="1" dictRef="g:l401">(A)</array>
        <array dataType="xsd:string" size="13" dictRef="g:l401">Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)</array>
        <array dataType="xsd:string" size="12" dictRef="g:l401">(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)</array>
        <array dataType="xsd:string" size="12" dictRef="g:l401">(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)</array>
        <array dataType="xsd:string" size="5" dictRef="g:l401">(A) (A) (A) (A) (A)</array>
      </list>
    </module>
  </comment>

Template definition

<record id="alphabeta">\s*&#123;A,g:l401.type&#125;\s*Orbitals:\s*</record>
<record id="l401" repeat="*">\s*&#123;1_20A,g:l401&#125;\s*</record>
<templateList>  <xi:include href="l401/l4601.occupied.xml" />  <xi:include href="l401/l4601.virtual.xml" />
  </templateList>