input.file¶
Type | Status |
---|---|
CML extraction template | ![]() |
HTML5 representation | ![]() |
Attribute | Value |
---|---|
source | ADF log |
id | input.file |
name | Input file dump |
pattern | \s*(INPUTsFILE)s* |
endPattern | \s*(End Input|end input|END INPUT|End input)s* |
endPattern2 | \s*$s**{40,}+s* |
endPattern3 | ~ |
endOffset | 1 |
repeat | * |
xml:base | input.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.
<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.
<record repeat="*">{X,cc:inputLine}</record>
<transform process="pullup" xpath=".//cml:scalar" />
<transform process="delete" xpath=".//cml:list[count(*)=0]" />