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12 lines
221 B
Python
12 lines
221 B
Python
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import pyqmckl as pq
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from data.data import coord
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from os.path import join
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ctx = pq.qmckl_context_create()
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fname = join('data', 'Alz_small.h5')
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rc = pq.qmckl_trexio_read(ctx, fname)
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print(pq.qmckl_string_of_error(rc))
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