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AttributeError: 'numpy.int64' object has no attribute 'unsqueeze' #78
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Hi Jonathan, The example is only for showing the format. The values are not physical as you can see the position coordinate is larger than the lattice vectors. Please use your own xyz file. |
My mistake sorry; I wrongly assumed the error wasn't because of that, I thought I had the wrong version of some library or other. It works now thanks. |
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I'm trying to run a toy example of training using a toy dataset just to make sure I can get ase datasets working. I get this error when I try and run Nequip:
AttributeError: 'numpy.int64' object has no attribute 'unsqueeze'
The dataset I'm using is this (taken from the discussion #74):
Here is the data section of my .yaml:
Here is the full error output:
I'm running it on a mac. Here are details of the environment:
Thanks
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