fixed results_dict to include terminated and no_scf keys to fix behav…

…ior on non-populated output files
hjkgrp · Nov 20, 2024 · e740056 · e740056
1 parent 6e64a5e
commit e740056
Showing 1 changed file with 2 additions and 1 deletion.
diff --git a/jobmanager/io/io.py b/jobmanager/io/io.py
@@ -97,7 +97,8 @@ def read_outfile(outfile_path, short_ouput=False, long_output=True):
                                'finished': False, 'min_energy': None, 'scf_error': False,
                                'thermo_grad_error': False, 'solvation_energy': None, 'optimization_cycles': None,
                                'thermo_vib_energy': None, 'thermo_vib_free_energy': None, 'thermo_suspect': None,
-                               'orbital_occupation': None, 'oscillating_scf_error': False}
+                               'orbital_occupation': None, 'oscillating_scf_error': False,
+                               'terminated': False, 'no_scf': False}
                 return return_dict
 
     output_type = ['TeraChem', 'ORCA'][counter]