Grid entity

Example 1. (VTK)

This example shows a HOMO and LUMO grid using the VTK XML format (not all the data is displayed).


<ImageData xmlns="http://grids.ac.uk/eccp/vtk" WholeExtent="-2.780944 3.67216 -3.4333595 3.4333595 -2.517421 4.407147" Spacing="0.58664582 0.6242472 0.6295062" Origin="0.445608 0.0 0.944863">
<Piece Extent="-2.780944 3.67216 -3.4333595 3.4333595 -2.517421 4.407147">
<PointData>
<DataArray Name="eccp:HOMO" type="float32" format="ascii">
 -9.22677458E-04
 -1.75676935E-03
 -2.93026543E-03
 -4.26787494E-03
 -5.37704100E-03
 -5.86689570E-03
 -5.62283394E-03
 -4.79166807E-03
 -3.64291140E-03
 -2.47241492E-03
 -1.50178685E-03
 -1.54217813E-03
 -3.09985487E-03
 -5.54967086E-03
 -8.58784305E-03
 -1.10161370E-02
 -1.17120343E-02
 -1.07931730E-02
 -8.97081629E-03
 -6.75478720E-03
 -4.56273497E-03
 -2.75457402E-03
 -2.26567014E-03
 -4.98989463E-03
 -1.00144368E-02
 -1.68719060E-02
 -2.19968691E-02
 -2.21943336E-02
 -1.88808632E-02
 -1.48011680E-02
</DataArray>
<DataArray Name="eccp:LUMO" format="ascii" type="float32">
  1.11272537E-02
  1.65246072E-02
  2.14794960E-02
  2.45483138E-02
  2.48849033E-02
  2.27137599E-02
  1.90813152E-02
  1.51281673E-02
  1.15250964E-02
  8.43926615E-03
  5.83702909E-03
  1.79271342E-02
  2.63677373E-02
  3.38873124E-02
  3.82310707E-02
  3.82344504E-02
  3.44897787E-02
  2.87895294E-02
  2.28860794E-02
  1.76555451E-02
  1.31730039E-02
  9.28913923E-03
  2.49662853E-02
  3.63843774E-02
  4.62364938E-02
  5.14713815E-02
  5.07505220E-02
  4.52332820E-02
  3.75434790E-02
  2.99681593E-02
  2.34422274E-02
  1.78279817E-02
  1.28082238E-02
  3.03315678E-02
  4.38804421E-02
  5.52458276E-02
  6.07972768E-02
  5.92070602E-02
  5.22616518E-02
  4.32336340E-02
  3.46963031E-02
  2.74917716E-02
  2.12422460E-02
  1.54836405E-02
  3.26957612E-02
  4.71473452E-02
  5.91241827E-02
  6.47552167E-02
  6.27521192E-02
  5.52289052E-02
  4.56991360E-02
  3.68191486E-02
</DataArray>
</PointData>
</Piece>
</ImageData>

-- PhilipCouch - 10 Nov 2004

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Topic revision: r2 - 10 Nov 2004 - PhilipCouch
 
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