l1.end


Implementation level
Type Status
CML extraction template image0
HTML5 representation image1
Template attributes
Attribute Value
source Gaussian log
id l1.end
name link1
repeat *
newline $
pattern \s*+s*$s*Gaussians*d+:.*
endPattern .*99.*;s*$s[^/]+
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.

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

Template definition.

<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" />
  </templateList>
<transform process="pullup" xpath=".//cml:module[@cmlx:templateRef='l1.version']/cml:*" />
<transform process="pullup" xpath=".//cml:module[@cmlx:templateRef='l1.options']/cml:*" />
<transform process="pullup" xpath=".//cml:module[@cmlx:templateRef='l101.title']/cml:*" />
<transform process="pullup" xpath=".//cml:module[@cmlx:templateRef='l1.control']/cml:list" />
<transform process="delete" xpath=".//cml:module[count(*)=0]" />
<transform process="delete" xpath=".//text()[starts-with(normalize-space(.),'Will use up to')]" />
<transform process="delete" xpath=".//cml:list[count(*)=0]" />
<transform process="delete" xpath=".//cml:list[count(*)=0]" />