ioChem-BD

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input.file ​

Implementation level ​

TypeStatus
CML extraction template
HTML5 representation

Template attributes ​

AttributeValue
sourceADF log
idinput.file
nameInput file dump
pattern\s*\(INPUT\sFILE\)\s*
endPattern\s*(End Input|end input|END INPUT|End input)\s*
endPattern2\s*$\s*\*{40,}+\s*
endPattern3~
endOffset1
repeat*
xml:baseinput.file.xml

Input ​

(INPUT FILE)

create W /usr/local/adf2007.01/atomicdata/ZORA/TZP/W.4d
xc
lda vwn
gradients becke perdew
end
relativistic scalar zora
corepotentials t12rel <++
W 2
end
end input

Output text ​

xml
<comment class="example.output" id="input.file">
      <module cmlx:lineCount="13" cmlx:templateRef="input.file">    
        <scalar dataType="xsd:string" dictRef="cc:inputLine">(INPUT FILE)</scalar>
        <scalar dataType="xsd:string" dictRef="cc:inputLine" />
        <scalar dataType="xsd:string" dictRef="cc:inputLine">create W /usr/local/adf2007.01/atomicdata/ZORA/TZP/W.4d</scalar>
        <scalar dataType="xsd:string" dictRef="cc:inputLine">xc</scalar>
        <scalar dataType="xsd:string" dictRef="cc:inputLine">lda vwn</scalar>
        <scalar dataType="xsd:string" dictRef="cc:inputLine">gradients becke perdew</scalar>
        <scalar dataType="xsd:string" dictRef="cc:inputLine">end</scalar>
        <scalar dataType="xsd:string" dictRef="cc:inputLine">relativistic scalar zora</scalar>
        <scalar dataType="xsd:string" dictRef="cc:inputLine">corepotentials t12rel <++</scalar>
        <scalar dataType="xsd:string" dictRef="cc:inputLine">W 2</scalar>
        <scalar dataType="xsd:string" dictRef="cc:inputLine">end</scalar>
        <scalar dataType="xsd:string" dictRef="cc:inputLine">end input</scalar>
        <scalar dataType="xsd:string" dictRef="cc:inputLine" />
      </module>   
    </comment>

Template definition ​

xml
<record repeat="*">&#123;X,cc:inputLine&#125;</record>
<transform process="pullup" xpath=".//cml:scalar" />
<transform process="delete" xpath=".//cml:list[count(*)=0]" />