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add ele import
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jennyfothergill authored Aug 16, 2021
1 parent 703e255 commit 9fecea5
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3 changes: 2 additions & 1 deletion morphct/execute_qcc.py
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import multiprocessing as mp
from multiprocessing import get_context
import numpy as np

import ele
import numpy as np
import pyscf
from pyscf.semiempirical import MINDO3

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