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pyiron / pyiron_atomistics

pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
https://pyiron-atomistics.readthedocs.io
BSD 3-Clause "New" or "Revised" License
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vasp import gives warnings #174

Open gongyilun opened 3 years ago

gongyilun commented 3 years ago

For some VASP results imported, it gives the following error when reading it:

pr['job_9'] /Users/xxx/opt/anaconda3/lib/python3.7/site-packages/h5io/_h5io.py:610: VisibleDeprecationWarning: Creating an ndarray from ragged nested sequences (which is a list-or-tuple of lists-or-tuples-or ndarrays with different lengths or shapes) is deprecated. If you meant to do this, you must specify 'dtype=object' when creating the ndarray return np.array(array_restore) {'groups': ['input', 'output'], 'nodes': ['HDF_VERSION', 'NAME', 'TYPE', 'VERSION', 'server', 'status']}

jan-janssen commented 3 years ago

@gongyilun Thank you very much for reporting this, we are working with the h5io developers to fix this an release an updated h5io version as soon as possible.