Bug #2691
Geometry optimization of the isolated molecule
| Status: | New | Start date: | 12/05/2019 | |
|---|---|---|---|---|
| Priority: | High | Due date: | ||
| Assignee: | Carles Marti | % Done: | 0% |
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| Category: | - | Spent time: | - | |
| Target version: | - |
Description
The program doesn't notice when the geometry optimization of the isolated molecule doesn't converge. It proceeds to the next step as if the geometry was indeed converged.
History
#1 Updated by Carles Marti over 3 years ago
- Priority changed from Low to High
The program doesn't notice when geometry optimization doesn't converge. It proceeds to the next step as if the geometry was indeed converged.