Ticket #121 (closed defect - failed assert: fixed)

Opened 3 years ago

Last modified 7 months ago

failed assert with big H2 molecule in grid

Reported by: peter Owned by: nobody
Priority: major Milestone: c13 release
Component: input parser Version: trunk
Keywords: Cc:

Description

The attached test case runs the big H2 molecule in a grid. On the second grid point the run crashes due to a failed assert. This seems to be due to an improper initialization of the nXLevelsMatrix variable by the ATOM H2 MATRIX ALL command.

Attachments

bug.in (0.9 kB) - added by peter 3 years ago.
script that fails

Change History

Changed 3 years ago by peter

script that fails

Changed 11 months ago by rporter

  • status changed from new to closed
  • resolution set to fixed

Fixed in r6342.

Changed 7 months ago by rporter

  • milestone changed from C10 release to c13 release

Milestone C10 release deleted

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