feos-org / feos

FeOs - A Framework for Equations of State and Classical Density Functional Theory
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Missing Contributions objects from the feos.pcsaft module #80

Closed defencedog closed 1 year ago

defencedog commented 1 year ago

Cannot run this notebook because of above error pcsaft_phase_diagram.ipynb

g-bauer commented 1 year ago

Hey, thanks for trying out FeOs. You are right, the text above the input statements is out of date. The Contributions object can be imported from the feos.eos module, i.e. from feos.eos import Contributions should do the trick. I will update the documentation.

In the notebook, however, we use from feos.eos import *. You should be able to run the whole notebook as is. Are you using this notebook?

defencedog commented 1 year ago

@g-bauer extremely thanks. Will you be updating notebooks in git as per latest API ...it means a lot for new users

g-bauer commented 1 year ago

I will fix the text. Does the notebook work properly? On my machine with the latest version of FeOs it does. Also, you can always check the Python API here. And this is the link to the feos.eos module where the Contributions object is exported.

defencedog commented 1 year ago

@g-bauer Yes it works properly. Extremely thanks