methods

Implementation level
Type Status
CML extraction template image0
HTML5 representation image1
Template attributes
Attribute Value
source Turbomole control file
id methods
name Method section
pattern \s*u0024(?i:(dft|uhf))s*
endPattern \s*u0024.*
endOffset 0
repeat *
xml:base methods.xml

Input.

$dft
 functional pbe0
 gridsize   6
 weight derivatives

Output text.

<comment class="example.output" id="methods">
        <module cmlx:lineCount="4" cmlx:templateRef="methods">
            <scalar dataType="xsd:string" dictRef="cc:method">dft</scalar>
            <scalar dataType="xsd:string" dictRef="cc:functional">pbe0</scalar>
        </module>
    </comment>

Template definition.

<templateList>  <template pattern="\s*\u0024(dft|uhf)\s*" endPattern="~">    <record>\s*\u0024{A,cc:method}.*</record>    <templateList>      <template pattern="\s*(?i:functional).*" endPattern=".*" endPattern2="~">        <record>\s*(?i:functional){X,cc:functional}</record>
                </template>      <template pattern="\s*(?i:gridsize).*" endPattern=".*" endPattern2="~">        <record>\s*(?i:gridsize){X,t:dftgridsize}</record>
                </template>
            </templateList>
        </template>
    </templateList>
<transform process="move" xpath=".//cml:scalar" to="." />
<transform process="delete" xpath=".//cml:module" />