Bug #2691

Geometry optimization of the isolated molecule

Added by Carles Marti 11 months ago. Updated 10 months ago.

Status:New Start date:12/05/2019
Priority:High Due date:
Assignee:Carles Marti % Done:

0%

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 10 months 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.

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