Comments (6)
leeping
commented on August 26, 2024
I think changing to logger.warning would be the easiest. Would that enable us to filter it out?
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dgasmith
commented on August 26, 2024
Apologies, I was going the wrong way :). A logger.debug is the way to go so this would not show up in normal info printing. But yes, that would be easy and would fix lots of potential confusion.
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leeping
commented on August 26, 2024
I made the changes in #93 and will make another release soon.
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dgasmith
commented on August 26, 2024
Thanks! No rush on the release as this just effects logging.
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leeping
commented on August 26, 2024
Is this issue resolved as well?
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dgasmith
commented on August 26, 2024
It is! Thank you.
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Related Issues (20)
- xTB support request HOT 7
- Rebuild coordinate system may fail for `PrimitiveInternalCoordinates` HOT 3
- versioneer does not work with Python 3.12
- How to input Hessian HOT 4
- Breaking certain bonds and getting invidual atoms as fragments with 3 degress of freedom HOT 2
- Using ORCA via ASE with customized input file HOT 4
- Automatically assigned tmin may become too small HOT 52
- Hessian update after rejected step HOT 4
- Ideas for finite_difference_grad.py HOT 4
- permit Hessian computation through Engine? HOT 5
- [Minor BUG]: pip installation HOT 1
- Interactive optimization HOT 3
- ORCA converges in 8 steps, geomeTRIC gets stuck HOT 41
- Issue installing with Python 3.12 HOT 3
- Separate handling of empirical geometry-dependent corrections HOT 1
- Optimization of molecular crystals (and other periodic systems) HOT 1
- optimizeGeometry doesn't converge, although optimization seems okay HOT 2
- [PYSCF] Geometry Optimisation - No message of failing to converge within the maxsteps HOT 1
- Sign Error with `frequency_analysis` function HOT 1
- Error with latest code HOT 1
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