UnboundLocalError: local variable 'single_atom_energies' referenced before assignment

[ThePauliPrinciple]

Describe the bug
Using the development branch:
When using the flare/scripts/otf_train.py script, I get the following error UnboundLocalError: local variable 'single_atom_energies' referenced before assignment.
An else statement handling this case should probably be added here:

flare/flare/scripts/otf_train.py

Lines 281 to 305 in f6e457f

 species_map = {flare_config.get("species")[i]: i for i in range(n_species)} 
 sae_dct = flare_config.get("single_atom_energies", None) 
 if sae_dct is not None: 
     assert n_species == len( 
         sae_dct 
     ), "'single_atom_energies' should be the same length as 'species'" 
     single_atom_energies = {i: sae_dct[i] for i in range(n_species)} 
  
 sgp = SGP_Wrapper( 
     kernels=kernels, 
     descriptor_calculators=descriptors, 
     cutoff=cutoff, 
     sigma_e=flare_config.get("energy_noise"), 
     sigma_f=flare_config.get("forces_noise"), 
     sigma_s=flare_config.get("stress_noise"), 
     species_map=species_map, 
     variance_type=flare_config.get("variance_type", "local"), 
     single_atom_energies=single_atom_energies, 
     energy_training=flare_config.get("energy_training", True), 
     force_training=flare_config.get("force_training", True), 
     stress_training=flare_config.get("stress_training", True), 
     max_iterations=max_iterations, 
     opt_method=opt_algorithm, 
     bounds=bounds, 
 ) 

[Yu Xie]

close by #327