sto3g_uadc2.py

#!/usr/bin/env python3
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import adcc

from import_data import import_data

# Gather precomputed data
data = import_data()

# Make it unrestricted
data["restricted"] = False

# Run an unrestricted adc2 calculation:
states = adcc.adc2(data, n_states=10, conv_tol=1e-8)
print(states.describe())