Example: GO cyclobutadiene spin-polarized
*****************************************

"Download constraints.run"

   #!/bin/sh

   AMS_JOBNAME=triplet $AMSBIN/ams << eor

   Task GeometryOptimization

   GeometryOptimization
       MaxIterations 100
       Convergence Gradients=1.0e-4
   End

   System
       Atoms
           C         0.64000000  0.74000000  0.00000000
           C        -0.64000000  0.74000000  0.00000000
           C        -0.64000000 -0.74000000  0.00000000
           C         0.64000000 -0.74000000  0.00000000
           H         1.50000000  1.50000000  0.00000000
           H        -1.50000000  1.50000000  0.00000000
           H        -1.50000000 -1.50000000  0.00000000
           H         1.50000000 -1.50000000  0.00000000
       End
   End

   Engine DFTB
      Model SCC-DFTB
      ResourcesDir DFTB.org/mio-1-1
      SCC
          DIIS MixingFactor=0.1
          Unrestricted Yes
      End
      Occupation
         Strategy fermi
         temperature 10
      End
      UnpairedElectrons 2
   EndEngine

   eor


   AMS_JOBNAME=singlet $AMSBIN/ams << eor

   Task GeometryOptimization

   GeometryOptimization
       MaxIterations 100
       Convergence Gradients=1.0e-4
   End

   System
       Atoms
           C         0.64000000  0.74000000  0.00000000
           C        -0.64000000  0.74000000  0.00000000
           C        -0.64000000 -0.74000000  0.00000000
           C         0.64000000 -0.74000000  0.00000000
           H         1.50000000  1.50000000  0.00000000
           H        -1.50000000  1.50000000  0.00000000
           H        -1.50000000 -1.50000000  0.00000000
           H         1.50000000 -1.50000000  0.00000000
       End
   End

   Engine DFTB
      Model SCC-DFTB
      ResourcesDir DFTB.org/mio-1-1
      SCC
          DIIS MixingFactor=0.1
          Unrestricted Yes
      End
      Occupation
         Strategy fermi
         temperature 10
      End
      UnpairedElectrons 0
   EndEngine

   eor
