l601.anisospin

Table 143. Implementation level

TypeStatus
CML extraction template

Total implementation

HTML5 representation

None implementation


Table attributesTable. Template attributes

AttributeValue
source Gaussian log
idl601.anisospin
nameAnisotropic Spin Dipole Couplings (Include)
repeat*
newline$
pattern\s*\-+\s*$.*Anisotropic Spin Dipole.*
endPattern\s*$\s*
xml:basel601/l601.anisospin.xml


Comment. 

because this looks like a title it must come early. 
  It will also be separate from the main l601

Input. 

 ---------------------------------------------------------------------------------
              Anisotropic Spin Dipole Couplings in Principal Axis System
 ---------------------------------------------------------------------------------

       Atom             a.u.   MegaHertz   Gauss  10(-4) cm-1        Axes

              Baa     0.0000     0.000     0.000     0.000  0.4655  0.8233 -0.3247
     1 Si(29) Bbb     0.0000     0.000     0.000     0.000  0.6169 -0.5649 -0.5480
              Bcc     0.0000     0.000     0.000     0.000  0.6346 -0.0547  0.7709
 
              Baa     0.0000     0.000     0.000     0.000  0.8075 -0.0154 -0.5897
     2 O(17)  Bbb     0.0000     0.000     0.000     0.000 -0.0071  0.9993 -0.0358
              Bcc     0.0000     0.000     0.000     0.000  0.5898  0.0331  0.8069
              
              
  

Output text. 

<comment class="example.output" id="l601.anisospin">
    <module cmlx:templateRef="l601.anisospin">
      <module cmlx:lineCount="3" cmlx:templateRef="atom">
        <matrix rows="3" columns="3" dataType="xsd:double" dictRef="g:axis" cmlx:templateRef="baa">0.4655 0.8233 -0.3247 0.6169 -0.5649 -0.548 0.6346 -0.0547 0.7709</matrix>
        <vector3 dictRef="g:coupling.au">0.0 0.0 0.0</vector3>
        <vector3 dictRef="g:coupling.mhz">0.0 0.0 0.0</vector3>
        <vector3 dictRef="g:coupling.g">0.0 0.0 0.0</vector3>
        <vector3 dictRef="g:coupling.ten">0.0 0.0 0.0</vector3>
        <scalar dataType="xsd:integer" dictRef="x:serial">1</scalar>
        <scalar dataType="xsd:string" dictRef="x:elementType">Si</scalar>
        <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">29</scalar>
      </module>
      <module cmlx:lineCount="3" cmlx:templateRef="atom">
        <matrix rows="3" columns="3" dataType="xsd:double" dictRef="g:axis" cmlx:templateRef="baa">0.8075 -0.0154 -0.5897 -0.0071 0.9993 -0.0358 0.5898 0.0331 0.8069</matrix>
        <vector3 dictRef="g:coupling.au">0.0 0.0 0.0</vector3>
        <vector3 dictRef="g:coupling.mhz">0.0 0.0 0.0</vector3>
        <vector3 dictRef="g:coupling.g">0.0 0.0 0.0</vector3>
        <vector3 dictRef="g:coupling.ten">0.0 0.0 0.0</vector3>
        <scalar dataType="xsd:integer" dictRef="x:serial">2</scalar>
        <scalar dataType="xsd:string" dictRef="x:elementType">O</scalar>
        <scalar dataType="xsd:integer" dictRef="x:isotopeNumber">17</scalar>
      </module>
    </module>
  </comment>