methods

Implementation level

Type	Status
CML extraction template
HTML5 representation

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&#123;A,cc:method&#125;.*</record>    <templateList>      <template pattern="\s*(?i:functional).*" endPattern=".*" endPattern2="~">        <record>\s*(?i:functional)&#123;X,cc:functional&#125;</record>
                </template>      <template pattern="\s*(?i:gridsize).*" endPattern=".*" endPattern2="~">        <record>\s*(?i:gridsize)&#123;X,t:dftgridsize&#125;</record>
                </template>
            </templateList>                       
        </template>
    </templateList>
<transform process="move" xpath=".//cml:scalar" to="." />
<transform process="delete" xpath=".//cml:module" />