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l302.basis ​

Implementation level ​

TypeStatus
CML extraction template
HTML5 representation

Template attributes ​

AttributeValue
sourceGaussian log
idl302.basis
namebasis
repeat*
pattern\s*NPDir=0.*
endPattern\s*NBsUse=.*
endPattern2.*$\s+{10,}1.*
endOffset1
xml:basel302/l302.basis.xml

Input ​

 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 NBasis=   202 RedAO= T  NBF=   202
 NBsUse=   202 1.00D-06 NBFU=   202

Input ​

 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 NBasis=    19 RedAO= T  NBF=    10     1     3     5
 NBsUse=    19 1.00D-06 NBFU=    10     1     3     5

Output text ​

xml
<comment class="example.output" id="l302.basis">
    <module cmlx:templateRef="l302.basis">
      <list cmlx:templateRef="basis">
        <array dataType="xsd:string" size="11" dictRef="g:basis">NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1</array>
        <array dataType="xsd:string" size="8" dictRef="g:basis">NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0.</array>
        <array dataType="xsd:string" size="5" dictRef="g:basis">One-electron integrals computed using PRISM.</array>
        <array dataType="xsd:string" size="6" dictRef="g:basis">NBasis= 202 RedAO= T NBF= 202</array>
        <array dataType="xsd:string" size="5" dictRef="g:basis">NBsUse= 202 1.00D-06 NBFU= 202</array>
      </list>
    </module>
  </comment>

Output text ​

xml
<comment class="example.output" id="l302.basis.1">
    <module cmlx:templateRef="l302.basis">
      <list cmlx:templateRef="basis">
        <array dataType="xsd:string" size="11" dictRef="g:basis">NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1</array>
        <array dataType="xsd:string" size="8" dictRef="g:basis">NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0.</array>
        <array dataType="xsd:string" size="5" dictRef="g:basis">One-electron integrals computed using PRISM.</array>
        <array dataType="xsd:string" size="9" dictRef="g:basis">NBasis= 19 RedAO= T NBF= 10 1 3 5</array>
        <array dataType="xsd:string" size="8" dictRef="g:basis">NBsUse= 19 1.00D-06 NBFU= 10 1 3 5</array>
      </list>
    </module>
  </comment>

Template definition ​

xml
<record id="basis" repeat="*">\s*&#123;1_20A,g:basis&#125;\s*</record>