Opened 8 years ago

Closed 6 years ago

Last modified 6 years ago

#121 closed defect - failed assert (fixed)

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:


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 (1) (910 bytes) - added by peter 8 years ago.
script that fails

Download all attachments as: .zip

Change History (3)

Changed 8 years ago by peter

Attachment: added

script that fails

comment:1 Changed 6 years ago by Ryan Porter

Resolution: fixed
Status: newclosed

Fixed in r6342.

comment:2 Changed 6 years ago by Ryan Porter

Milestone: C10 releasec13 release

Milestone C10 release deleted

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