final

• cell
• mulliken
• enthalpy

---

Implementation level

Type	Status
CML extraction template
HTML5 representation

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>