dispersion

Implementation level
Type Status
CML extraction template image1
HTML5 representation image2
Template attributes
Attribute Value
source Turbomole control file
id dispersion
name Empirical dispersion correction
pattern \s*\u0024\s*(?i:(disp3|olddisp|disp))\s*
endPattern .*
xml:base dispersion.xml
Input
$disp3
Output text
<comment class="example.output" id="dispersion">
        <module cmlx:templateRef="dispersion">
            <scalar dataType="xsd:string" dictRef="t:correction">disp3</scalar>
        </module>
    </comment>
Template definition
<record>\s*\u0024{X,t:correction}</record>
<transform process="pullup" xpath=".//cml:scalar" />
<transform process="delete" xpath=".//cml:list" />