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[WIP] Add tests

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q-posev 2022-05-02 16:46:34 +02:00
parent c73a2aff3c
commit 3fa5f9a34b
3 changed files with 47415 additions and 0 deletions
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python/test/data/Alz_small.h5 Normal file
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python/test/data/data.py Normal file
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import pyqmckl as pq
from data.data import coord
from os.path import join
ctx = pq.qmckl_context_create()
fname = join('data', 'Alz_small.h5')
rc = pq.qmckl_trexio_read(ctx, fname)
print(pq.qmckl_string_of_error(rc))