setup ​
Implementation level ​
| Type | Status |
|---|---|
| CML extraction template |  |
| HTML5 representation |  |
Template attributes ​
| Attribute | Value |
|---|---|
| source | CASTEP log |
| id | setup |
| name | Setup atoms and cell |
| pattern | \s*\-{10,}.*$\s*Unit\sCell.* |
| endPattern | \+\-*\s*MEMORY\sAND\sSCRATCH\sDISK\sESTIMATES\sPER\sPROCESS.* |
| endOffset | 0 |
| xml:base | setup/setup.xml |
Input ​
Current template has input comments defined but it's output is missing, please notify software developers.
Template definition ​
xml
<templateList> <xi:include href="setup/cell.xml" /> <xi:include href="setup/atoms.xml" /> <xi:include href="setup/symmetry.xml" />
</templateList>
<transform process="createCrystal" xpath="//cml:module[@cmlx:templateRef='setup']//cml:atomArray" lattice="//cml:module[@cmlx:templateRef='setup']//cml:list[@dictRef='ca:axis']" id="coordinates" connect="no" />
<transform process="delete" xpath=".//cml:module[@cmlx:templateRef='atomtable']/cml:atomArray" />
<transform process="move" xpath="//cml:module[@cmlx:templateRef='atomtable']/cml:molecule" to="." />