We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
After performing a DOS calculation with aiida-fleur it seems aiida-fleur cant plot the DOS bc labels seem outdated
Calculation finished fine
FleurBandDosWorkChain<423523> Finished [0] [2:return_results] ├── FleurScfWorkChain<423524> Finished [0] [7:return_results] │ ├── FleurinputgenCalculation<423525> Finished [0] │ ├── modify_fleurinpdata<423736> Finished [0] │ ├── FleurBaseWorkChain<423743> Finished [0] [3:results] │ │ └── FleurCalculation<423745> Finished [0] │ └── create_scf_result_node<425304> Finished [0] ├── modify_fleurinpdata<425307> Finished [0] ├── FleurBaseWorkChain<425314> Finished [0] [3:results] │ └── FleurCalculation<425315> Finished [0] ├── create_band_result_node<425726> Finished [0] └── create_aiida_dos_data<425728> Finished [0]
Error:
--------------------------------------------------------------------------- NotExistent Traceback (most recent call last) /tmp/ipykernel_916388/2612085769.py in <cell line: 6>() 4 5 ----> 6 plot_fleur(423523) /Users/hilgers/JupyterHub/aiida-fleur/aiida_fleur/tools/plot/fleur.py in plot_fleur(save, show_dict, show, backend, *args, **kwargs) 69 #print(arg) 70 # plot alone ---> 71 p1 = plot_fleur_sn(arg, show_dict=show_dict, show=show, save=save, backend=backend, **kwargs) 72 all_plots.append(p1) 73 /Users/hilgers/JupyterHub/aiida-fleur/aiida_fleur/tools/plot/fleur.py in plot_fleur_sn(node, show_dict, **kwargs) 81 """ 82 ---> 83 plot_nodes, workflow_name, _ = classify_node(node) 84 85 if show_dict: /Users/hilgers/JupyterHub/aiida-fleur/aiida_fleur/tools/plot/fleur.py in classify_node(node) 201 if workchain_node is None: 202 workchain_node = parameter_node.get_incoming(node_class=WorkChainNode).one().node --> 203 add_nodes = tuple(workchain_node.get_outgoing().get_node_by_label(out_label) for out_label in add_outputs) 204 205 outputs = (parameter_node,) + add_nodes /Users/hilgers/JupyterHub/aiida-fleur/aiida_fleur/tools/plot/fleur.py in <genexpr>(.0) 201 if workchain_node is None: 202 workchain_node = parameter_node.get_incoming(node_class=WorkChainNode).one().node --> 203 add_nodes = tuple(workchain_node.get_outgoing().get_node_by_label(out_label) for out_label in add_outputs) 204 205 outputs = (parameter_node,) + add_nodes /Users/hilgers/JupyterHub/aiida-core/aiida/orm/utils/links.py in get_node_by_label(self, label) 332 333 if matching_entry is None: --> 334 raise exceptions.NotExistent(f'no neighbor with the label {label} found') 335 336 return matching_entry NotExistent: no neighbor with the label last_calc_retrieved found
Versions: AiiDA-FLEUR version 2.0.0a0, AiiDA version 2.1.2
The text was updated successfully, but these errors were encountered:
d-wortmann
No branches or pull requests
After performing a DOS calculation with aiida-fleur it seems aiida-fleur cant plot the DOS bc labels seem outdated
Calculation finished fine
Error:
Versions: AiiDA-FLEUR version 2.0.0a0, AiiDA version 2.1.2
The text was updated successfully, but these errors were encountered: