Ticket #121 (closed defect - failed assert: fixed)
failed assert with big H2 molecule in grid
|Reported by:||peter||Owned by:||nobody|
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.