dispersion

Implementation level

Type	Status
CML extraction template
HTML5 representation

Template attributes

Attribute	Value
source	Orca log
id	dispersion
name	Dispersion Correction Energy
pattern	\s*-{20,}.*$\s*Dispersion\scorrection.*
endPattern	\s*
repeat	*
xml:base	job/energies/dispersion.xml

Input

-------------------------   ----------------
Dispersion correction           -0.030039134
-------------------------   ----------------

Output text

<comment class="example.output" id="dispersion">
      <module cmlx:templateRef="dispersion">
         <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.030039134</scalar>
      </module>
    </comment>

Template definition

<record />
<record>\s*Dispersion\scorrection&#123;F,o:dispersion&#125;.*</record>
<transform process="addUnits" xpath=".//cml:scalar" value="nonsi:hartree" />
<transform process="move" xpath=".//cml:scalar[@dictRef='o:dispersion']" to="." />
<transform process="delete" xpath=".//cml:list" />