l1.end

Implementation level

Type

Status

CML extraction template

image1

HTML5 representation

image2
Template attributes

Attribute

Value

source

Gaussian log

id

l1.end

name

link1

repeat

*

newline

$

pattern

\s\*+\s*$\s*Gaussian\s*\d+:.*

endPattern

~

endOffset

1

xml:base

l1/l1.end.xml

Input

*********************************************
Gaussian 03:  x86-Linux-G03RevB.04 2-Jun-2003
                 20-Nov-2006
*********************************************
%nprocshared=4
Will use up to    4 processors via shared memory.
%mem=10500MB
%NoSave
%Chk=chk.chk
%rwf=/tmp/pbs.3528793.cx1/rwf
--------------------------
#N B3LYP/6-31G(d) OPT FREQ
--------------------------
1/14=-1,18=20,26=3,38=1/1,3;
2/9=110,17=6,18=5,40=1/2;
99/9=1/99;

Output text

 1<comment class="example.output" id="l1.end">
 2    <module cmlx:templateRef="l1.end">
 3      <scalar dataType="xsd:string" dictRef="cc:run.date">20-Nov-2006</scalar>
 4      <scalar dataType="xsd:string" dictRef="cc:program">Gaussian 03</scalar>
 5      <scalar dataType="xsd:string" dictRef="cc:version">x86-Linux-G03RevB.04</scalar>
 6      <scalar dataType="xsd:string" dictRef="cc:program.date">2-Jun-2003</scalar>
 7      <array dataType="xsd:string" size="1" dictRef="g:kk">nprocshared=4</array>
 8      <array dataType="xsd:string" size="1" dictRef="g:kk">mem=10500MB</array>
 9      <array dataType="xsd:string" size="1" dictRef="g:kk">NoSave</array>
10      <array dataType="xsd:string" size="1" dictRef="g:kk">Chk=chk.chk</array>
11      <array dataType="xsd:string" size="1" dictRef="g:kk">rwf=/tmp/pbs.3528793.cx1/rwf</array>
12      <scalar dataType="xsd:string" dictRef="cc:title" cmlx:templateRef="title">#N B3LYP/6-31G(d) OPT FREQ</scalar>
13      <list cmlx:templateRef="control">
14        <scalar dataType="xsd:string" dictRef="g:control">1/14=-1,18=20,26=3,38=1/1,3</scalar>
15        <scalar dataType="xsd:string" dictRef="g:control">2/9=110,17=6,18=5,40=1/2</scalar>
16        <scalar dataType="xsd:string" dictRef="g:control">99/9=1/99</scalar>
17      </list>
18    </module>
19  </comment>

Template definition

 1<templateList>  <xi:include href="l1/l1.version.xml" />  <xi:include href="l1/l1.options.xml" />  <xi:include href="l1/../l101/l101.title.xml" />  <xi:include href="l1/l1.keywords.xml" />  <xi:include href="l1/l1.control.xml" />
 2  </templateList>
 3<transform process="pullup" xpath=".//cml:module[@cmlx:templateRef='l1.version']/cml:*" />
 4<transform process="pullup" xpath=".//cml:module[@cmlx:templateRef='l1.options']/cml:*" />
 5<transform process="pullup" xpath=".//cml:module[@cmlx:templateRef='l101.title']/cml:*" />
 6<transform process="pullup" xpath=".//cml:module[@cmlx:templateRef='l1.control']/cml:list" />
 7<transform process="delete" xpath=".//cml:module[count(*)=0]" />
 8<transform process="delete" xpath=".//text()[starts-with(normalize-space(.),'Will use up to')]" />
 9<transform process="delete" xpath=".//cml:list[count(*)=0]" />
10<transform process="delete" xpath=".//cml:list[count(*)=0]" />