search

ezpzbz / aiida-catmat

Collection of AiiDA WorkChains Developed in CATMAT project
MIT License
3 stars 1 forks source link

[Feature] Convergence status in output dict #2

Closed ezpzbz closed 4 years ago

ezpzbz commented 4 years ago

During analzing results, I realized that it is convinient to leave a trace of convergence status in the output_parameters Dict. It later becomes handy if we just quickly wanna know about it when we are querying the results. It can be like:

{
     'electronic_convergence_initial_static`: True/False,
     'electronic_convergence_final_static`: True/False,
     'electronic_convergence_relax`: True/False,
}
ezpzbz commented 4 years ago

Done!