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BM Tree Fitting Gets Stuck in a Loop #599
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If anyone wants to look at the exact script I'm using to refit it, here's my version of Matt's script:
It hasn't gotten past here, so no point in adding the rest yet. Also, I originally had it at npocs=1 for the 24 hour run, then tried increasing to see if that changed anything. Also, I'm on my experimental correlated_uncertainty branch of RMG-Py, so that's another possible source of error. I'll try rebuilding because I always forget to do that. |
I'm trying to refit the Disproportionation tree using some new training reactions I calculated. I tried using Matt's tree fitting script and it appears to be stuck in a loop. I don't know if I just haven't let it run long enough (tried 24 hours) or if there's a setting I need to change so it can break free.
I haven't figured out a good way to log the error, so here's a portion of what it keeps printing to the terminal:
Any help here is appreciated, thanks!
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