final

Implementation level
Type Status
CML extraction template image1
HTML5 representation image2
Template attributes
Attribute Value
source CASTEP log
id final
name Final configuration
pattern \s*={10,}.*$\s*LBFGS:\sFinal\sConfiguration.*
endPattern \s*Writing.*
endPattern2 ~
endOffset 0
xml:base geomopt/final.xml
Input
================================================================================
 LBFGS: Final Configuration:
================================================================================

...


===================================================


Writing analysis data to XX_51688.castep_bin

Warning

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

Template definition
<templateList>  <xi:include href="geomopt/../setup/cell.xml" />  <xi:include href="geomopt/mulliken.xml" />  <xi:include href="geomopt/enthalpy.xml" />

    </templateList>