Comments (2)
This functionality is not well-tested, and may not have been ported to Python 3.x. It shouldn't be too hard to do the conversion, but I don't have time to dig into it right now. You can probably just follow the traceback and start with line 273 of "first_order_interactions.py".
However, I would also caution that the results of this fitting can be very sensitive to the input energies and the fitting mode. It is worth checking the results with an independent script and considering the sensitivity before drawing strong conclusions from the results.
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This seems to have been fixed in the latter MR. Please reopen it if the issue still persists.
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