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Bug: exit status 0 even when self-consistency is not reached #55

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bastonero opened this issue Dec 6, 2023 · 0 comments · Fixed by #56
Closed

Bug: exit status 0 even when self-consistency is not reached #55

bastonero opened this issue Dec 6, 2023 · 0 comments · Fixed by #56
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When the SelfConsistentHubbardWorkChain hits the maximum number of iterations, but the parameters are not converged within input thresholds, the workchain finished with 0 exit status. No exit code is provided.

How to fix: add a new exit code for this particular case scenario.
@bastonero bastonero self-assigned this Dec 6, 2023
bastonero added a commit that referenced this issue Dec 6, 2023
@bastonero
Fix exit status when convergence is not met
1e1cd96 
Fixes #55

Exit status 0 was given when at the last iteration
no self-consistency (of Hubbard parameters) was
reached. This is misleading, and a new exit code is
added to highlitght better this condition.
@bastonero bastonero mentioned this issue Dec 6, 2023
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bastonero added a commit that referenced this issue Dec 7, 2023
@bastonero
Fix exit status when convergence is not met (#56)
8ef3b5b 
Fixes #55

Exit status 0 was given when at the last iteration
no self-consistency (of Hubbard parameters) was
reached. This is misleading, and a new exit code is
added to highlitght better this condition.
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Fix exit status when convergence is not met aiidateam/aiida-hubbard
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