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Merge branch 'dev-stable' of github.com:QuantumPackage/qp2 into dev-stable

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Anthony Scemama 2025-01-20 19:21:37 +01:00
commit 0771536f62
1 changed files with 1 additions and 1 deletions
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2
scripts/qp_import_trexio.py
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@ -195,7 +195,7 @@ def write_ezfio(trexio_filename, filename):
prim_factor = trexio.read_basis_prim_factor(trexio_file)
for i,p in enumerate(prim_factor):
coefficient[i] *= prim_factor[i]
ezfio.set_ao_basis_primitives_normalized(True)
ezfio.set_ao_basis_primitives_normalized(False)
ezfio.set_basis_prim_coef(coefficient)
elif basis_type.lower() == "numerical":