Improved ESS troubleshooting #147
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Codecov Report
@@ Coverage Diff @@
## master #147 +/- ##
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- Coverage 45.79% 45.7% -0.09%
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Files 28 28
Lines 7305 7318 +13
Branches 1911 1913 +2
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Hits 3345 3345
- Misses 3482 3493 +11
- Partials 478 480 +2
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- Don't pass the conformer checkfile to opt if "Basis set data is not on the checkpoint file" - Try running a fine grid if unconverged - Save a restart file after trying all trsh methods so they won't be tried again after restarting (saving the job.ess_trsh_methods attribute)
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