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Caused by the fact that Numpy ndarrays have a maximum dimensionality of 32. Here is one place that this imposes a limit of 31 fragments; there are probably other places in LASSI op_o1. Can this be refactored?
ETA: obviously the solution here is to just do 1 fragment at a time since L60 turns it into a 2d ndarray. But better leave this issue up until all ndarray-related hard limits are removed.
The text was updated successfully, but these errors were encountered:
Caused by the fact that Numpy ndarrays have a maximum dimensionality of 32. Here is one place that this imposes a limit of 31 fragments; there are probably other places in LASSI op_o1. Can this be refactored?
mrh/my_pyscf/lassi/citools.py
Lines 58 to 60 in 0c5f1b1
ETA: obviously the solution here is to just do 1 fragment at a time since L60 turns it into a 2d ndarray. But better leave this issue up until all ndarray-related hard limits are removed.
The text was updated successfully, but these errors were encountered: