fix for bytes/string conversion

2020-07-29 17:36:28 -05:00 · 2020-07-29 17:36:28 -05:00 · 5dd0a1c9bd
parent ff9760b136
commit 5dd0a1c9bd
1 changed files with 2 additions and 0 deletions
--- a/bin/qp_convert_h5_to_ezfio
+++ b/bin/qp_convert_h5_to_ezfio
@ -76,6 +76,8 @@ def convert_mol(filename,qph5path):
    
    ezfio.set_nuclei_nucl_charge(nucl_charge)
    ezfio.set_nuclei_nucl_coord(nucl_coord)
+    if isinstance(nucl_label[0],bytes):
+        nucl_label = list(map(lambda x:x.decode(),nucl_label))
    ezfio.set_nuclei_nucl_label(nucl_label)
    
    ezfio.set_nuclei_io_nuclear_repulsion('Read')