pcsaft_phase_diagram.ipnyb error

[juanimila]

When I try to run the example, in the line:
df = pd.DataFrame(phase_diagram.to_dict())
df.head()
I get an error message:
PanicException Traceback (most recent call last)
Cell In[6], line 1
----> 1 df = pd.DataFrame(phase_diagram.to_dict())
2 df.head()

PanicException: No ideal gas model initialized!

[g-bauer]

Hey!

You can fix this by providing Contributions.Residual to the function to calculate residual properties:

from feos.eos import Contributions
df = pd.DataFrame(phase_diagram.to_dict(Contributions.Residual))

The default argument to to_dict is Contributions.Total which fails if no ideal gas model is initialized.