l401.alphabeta

Implementation level

Type

Status

CML extraction template

image1

HTML5 representation

image2
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

 1<comment class="example.output" id="l401.alphabeta">
 2    <module cmlx:templateRef="l401.alphabeta">
 3      <list cmlx:templateRef="alphabeta">
 4        <scalar dataType="xsd:string" dictRef="g:l401.type">Alpha</scalar>
 5      </list>
 6      <list cmlx:templateRef="l401">
 7        <array dataType="xsd:string" size="13" dictRef="g:l401">Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)</array>
 8        <array dataType="xsd:string" size="12" dictRef="g:l401">(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)</array>
 9        <array dataType="xsd:string" size="12" dictRef="g:l401">(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)</array>
10        <array dataType="xsd:string" size="2" dictRef="g:l401">(A) (A)</array>
11        <array dataType="xsd:string" size="13" dictRef="g:l401">Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)</array>
12        <array dataType="xsd:string" size="12" dictRef="g:l401">(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)</array>
13        <array dataType="xsd:string" size="12" dictRef="g:l401">(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)</array>
14        <array dataType="xsd:string" size="4" dictRef="g:l401">(A) (A) (A) (A)</array>
15        <array dataType="xsd:string" size="2" dictRef="g:l401">Beta Orbitals:</array>
16        <array dataType="xsd:string" size="13" dictRef="g:l401">Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)</array>
17        <array dataType="xsd:string" size="12" dictRef="g:l401">(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)</array>
18        <array dataType="xsd:string" size="12" dictRef="g:l401">(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)</array>
19        <array dataType="xsd:string" size="1" dictRef="g:l401">(A)</array>
20        <array dataType="xsd:string" size="13" dictRef="g:l401">Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)</array>
21        <array dataType="xsd:string" size="12" dictRef="g:l401">(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)</array>
22        <array dataType="xsd:string" size="12" dictRef="g:l401">(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)</array>
23        <array dataType="xsd:string" size="5" dictRef="g:l401">(A) (A) (A) (A) (A)</array>
24      </list>
25    </module>
26  </comment>

Template definition

1<record id="alphabeta">\s*{A,g:l401.type}\s*Orbitals:\s*</record>
2<record id="l401" repeat="*">\s*{1_20A,g:l401}\s*</record>
3<templateList>  <xi:include href="l401/l4601.occupied.xml" />  <xi:include href="l401/l4601.virtual.xml" />
4  </templateList>