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#17 PupilServer stops when QM zone is made with one atom alone and using the Gaussian program.

v1.3
closed
None
5
2014-11-04
2013-11-14
Juan Torras
No

When a simulation involves only one atom alone on the QM zone and being calculated with the Gaussian program (G03 version), the simulation stops abruptly when parsing Gaussian output File. More specifically, when parsing Force Field values on the point charges wrapping the QM zone.

Discussion

  • Juan Torras

    Juan Torras - 2014-11-04

    This bug is fixed and incorporated on the new version 3.0

     
  • Juan Torras

    Juan Torras - 2014-11-04
    • status: open --> closed
     

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