optimization

• geometry
• energies
• jobcpu

---

Implementation level

Type	Status
CML extraction template
HTML5 representation

Template attributes

Attribute	Value
source	MOPAC log
id	optimization
name	Geometry optimization
pattern	.*\sGeometry\soptimization\susing.*
endPattern	\s*COMPUTATION\sTIME.*
endPattern2	~
endOffset	1
repeat	*
xml:base	job/optimization.xml

Template definition

<templateList>  <xi:include href="atomiccoordinates.xml" />  <xi:include href="energies.xml" />  <xi:include href="jobcpu.xml" />
    </templateList>