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fix 2
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NicoRenaud committed Dec 9, 2023
1 parent c85c62b commit 53ff7e6
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Showing 2 changed files with 1 addition and 3 deletions.
2 changes: 0 additions & 2 deletions qmctorch/wavefunction/orbitals/norm_orbital.py
Original file line number Diff line number Diff line change
Expand Up @@ -75,7 +75,6 @@ def norm_gaussian_spherical(bas_n, bas_exp):
torch.tensor: normalization factor
"""

from scipy.special import factorial2 as f2

bas_n = torch.tensor(bas_n)
bas_n = bas_n + 1.0
Expand Down Expand Up @@ -104,7 +103,6 @@ def norm_slater_cartesian(a, b, c, n, exp):
Returns:
torch.tensor: normalization factor
"""
from scipy.special import factorial2 as f2

lvals = a + b + c + n + 1.0

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2 changes: 1 addition & 1 deletion setup.py
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Expand Up @@ -41,7 +41,7 @@
],
test_suite='tests',
install_requires=['matplotlib', 'numpy', 'argparse',
'scipy==1.10.1', 'tqdm', 'torch', 'dgl', 'dgllife',
'scipy', 'tqdm', 'torch', 'dgl', 'dgllife',
'plams', 'pints',
'pyscf', 'mendeleev', 'twiggy',
'plams', 'mpi4py'],
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