Closed shoubhikraj closed 1 month ago
Attention: Patch coverage is 99.20635%
with 2 lines
in your changes missing coverage. Please review.
Project coverage is 97.44%. Comparing base (
8be1e8a
) to head (a7d5a24
).
Files | Patch % | Lines |
---|---|---|
autode/opt/coordinates/dic.py | 92.30% | 1 Missing :warning: |
autode/opt/optimisers/base.py | 99.17% | 1 Missing :warning: |
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@t-young31 Could you have one final check before merge please?
Optimiser convergence checks now use ORCA/Gaussian style parameters (energy change, RMS and max gradient and step sizes).
Partial fix of #300
Checklist