l302.basis

Implementation level

Type

Status

CML extraction template

image1

HTML5 representation

image2
Template attributes

Attribute

Value

source

Gaussian log

id

l302.basis

name

basis

repeat

*

pattern

\s*NPDir=0.*

endPattern

\s*NBsUse=.*

endPattern2

.*$\s+{10,}1.*

endOffset

1

xml:base

l302/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

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

Output text

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

Template definition

1<record id="basis" repeat="*">\s*{1_20A,g:basis}\s*</record>