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Fix import_trexio
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Anthony Scemama 2023-05-31 11:47:53 +02:00
parent ff5d62f840
commit 3306d26e0e
1 changed files with 1 additions and 0 deletions
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scripts/qp_import_trexio.py
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@ -340,6 +340,7 @@ def write_ezfio(trexio_filename, filename):
except: except:
label = "None" label = "None"
ezfio.set_mo_basis_mo_label(label) ezfio.set_mo_basis_mo_label(label)
ezfio.set_determinants_mo_label(label)
try: try:
clss = trexio.read_mo_class(trexio_file) clss = trexio.read_mo_class(trexio_file)