properties ​
Implementation level ​
| Type | Status |
|---|---|
| CML extraction template | |
| HTML5 representation |
Template attributes ​
| Attribute | Value |
|---|---|
| source | xTB log |
| id | properties |
| name | Properties printout |
| pattern | \s+-{10,}\s*$\s*\|\s*Property\sPrintout.* |
| endPattern | .*$.*$\s*\|\s*TOTAL\sENERGY.* |
| endPattern2 | ~ |
| endOffset | 0 |
| xml:base | properties/properties.xml |
Comment
-------------------------------------------------
| Property Printout |
-------------------------------------------------
...
-------------------------------------------------
| TOTAL ENERGY -5.070451354560 Eh |
Template definition
xml
<templateList> <xi:include href="properties/orbitals.xml" /> <xi:include href="properties/dipole.xml" /> <xi:include href="properties/quadrupole.xml" />
</templateList>