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qmckl/python/test/test_api.py
2022-05-02 16:46:34 +02:00

12 lines
221 B
Python

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))