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When the code get_formations.py in the examples was run, it failed with the error "no compute_formation()". I want to calculate the formation energy and get the key of "description". I find the functions of calculate_stability(), compute_formation_energies() , get_formation() and formation_energy(), but none of them calculates formation energy but just reads the database or do something others. So, how to calculate the formation energy with qmpy?
The text was updated successfully, but these errors were encountered:
When the code get_formations.py in the examples was run, it failed with the error "no compute_formation()". I want to calculate the formation energy and get the key of "description". I find the functions of calculate_stability(), compute_formation_energies() , get_formation() and formation_energy(), but none of them calculates formation energy but just reads the database or do something others. So, how to calculate the formation energy with qmpy?
The text was updated successfully, but these errors were encountered: