adf
- program.header
- model.parameters
- adf.runtype
- adf.build
- adf.technical
- adf.computation
- adf.results
- adf.frequencyanalysis
===
Type |
Status |
|---|---|
CML extraction template |
|
HTML5 representation |
|
Attribute |
Value |
|---|---|
source |
ADF log |
id |
adf |
name |
ADF module |
pattern |
\s+\*\s+\|\s+A\sD\sF\s+\|\s+\*.* |
endPattern |
\s*A\s+D\s+F\s+E\s+X\s+I\s+T\s* |
offset |
-10 |
endOffset |
1 |
repeat |
* |
xml:base |
adf/adf.xml |
Comment
*******************************************************************************
* *
* ------------------------------------- *
* Amsterdam Density Functional (ADF) 2007.01 August 20, 2007 *
* ------------------------------------- *
* Build 200708201257 *
* *
* *
* ================= *
* | | *
* | A D F | *
* | | *
* ================= *
* *
* *
* Online information and documentation: http://www.scm.com *
* E-mail: support@scm.com info@scm.com *
* *
* Scientific publications using ADF results must be properly referenced *
* See the User Manuals (or the web site) for recommended citations *
* The terms and conditions of the End User License Agreement apply to *
* the use of ADF, http://www.scm.com/Sales/LicAgreement.html *
* *
**************************** pentium_linux_ifc ******************************
ADF 2007.01 RunTime: Oct17-2008 16:16:48
Oxygen (TZP, 1s frozen)
...
(INIT)
...
************************************
* R U N T Y P E : SINGLE POINT *
************************************
...
*********************************************
* R U N T Y P E : GEOMETRY OPTIMIZATION *
*********************************************
...
****************************************
* B U I L D : (Fragments, Functions) *
****************************************
...
***********************
* T E C H N I C A L *
***********************
...
***************************
* C O M P U T A T I O N *
***************************
...
*******************
* R E S U L T S *
*******************
...
******************************************
* F R E Q U E N C Y A N A L Y S I S *
******************************************
*******************************************************************************
A D F E X I T
Template definition
1<templateList> <xi:include href="adf/../program.header.xml" /> <xi:include href="adf/init/modelparameters/model.parameters.xml" /> <xi:include href="adf/runtype/runtype.xml" /> <xi:include href="adf/build/build_fragments.xml" /> <xi:include href="adf/technical/technical.xml" /> <xi:include href="adf/computation/computation.xml" /> <xi:include href="adf/results/results.xml" /> <xi:include href="adf/frequencyanalysis/frequencyanalysis.xml" />
2 </templateList>