Fix import_trexio

2024-06-02 10:45:18 +02:00 · 2023-05-31 11:47:53 +02:00 · 2023-05-31 11:47:53 +02:00 · 3306d26e0e
commit 3306d26e0e
parent ff5d62f840
1 changed files with 1 additions and 0 deletions
--- a/scripts/qp_import_trexio.py
+++ b/scripts/qp_import_trexio.py
@ -340,6 +340,7 @@ def write_ezfio(trexio_filename, filename):
    except:
      label = "None"
    ezfio.set_mo_basis_mo_label(label)
+    ezfio.set_determinants_mo_label(label)

    try:
      clss = trexio.read_mo_class(trexio_file)