l1.end

Gaussian log

l1.version
l1.options
l101.title
l1.keywords
l1.control

Table 109. Implementation level

TypeStatus
CML extraction template

Total implementation

HTML5 representation

Partial implementation


Table attributesTable. Template attributes

AttributeValue
source Gaussian log
idl1.end
namelink1
repeat*
newline$
pattern\s\*+\s*$\s*Gaussian\s*\d+:.*
endPattern.*99.*\;\s*$\s[^/]+
endOffset1
xml:basel1/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>