l301.dispersion

Implementation level

Type	Status
CML extraction template
HTML5 representation

Template attributes

Attribute	Value
source	Gaussian log
id	l301.dispersion
pattern	\s+R6Disp.*
endPattern	.*
endOffset	0
xml:base	l301/l301.dispersion.xml

Input

>
 R6Disp:  Grimme-D3 Dispersion energy=       -0.0624258977 Hartrees.

Input

Current template has input comments defined but it's output is missing, please notify software developers.

Template definition

<record>\s+R6Disp:&#123;X,g:empdispersion&#125;Dispersion\senergy=&#123;F,g:dispenergy&#125;Hartrees.*</record>
<transform process="addUnits" xpath=".//cml:scalar[@dictRef='g:dispenergy']" value="nonsi:hartree" />
<transform process="pullup" xpath=".//cml:scalar" repeat="2" />
<transform process="delete" xpath=".//cml:list" />