l401.alphabeta¶
Type | Status |
---|---|
CML extraction template | |
HTML5 representation |
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*{A,g:l401.type}\s*Orbitals:\s*</record>
<record id="l401" repeat="*">\s*{1_20A,g:l401}\s*</record>
<templateList> <xi:include href="l401/l4601.occupied.xml" /> <xi:include href="l401/l4601.virtual.xml" />
</templateList>