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 ​
xml
<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 ​
xml
<record />
<record>\s*Dispersion\scorrection{F,o:dispersion}.*</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" />