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kaylai / VESIcal

A generalized python library for calculating and plotting various things related to mixed volatile (H2O-CO2) solubility in silicate melts.
MIT License
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Testing Notebook changes: Never gives value for dixon degassing at 2wt% H2O #137

Open PennyWieser opened 3 years ago

PennyWieser commented 3 years ago

Going through the testing notebooks using a version of VESical downloaded on 16th of March.

This returns an output: my_sample2 = {'SiO2': 49, 'TiO2': 1.13, 'Al2O3': 15.86, 'Fe2O3': 0.929, 'FeO': 7.53, 'MgO': 10.05, 'CaO': 12.15, 'Na2O': 2.70, 'K2O': 0.31, 'H2O': 1.0, 'CO2': 0.05} my_sample2 = v.Sample(my_sample2) open_df_sample2 = v.calculate_degassing_path(sample=my_sample2, temperature=1200, model='Dixon', fractionate_vapor=1).result

closed_df_sample2 = v.calculate_degassing_path(sample=my_sample2, temperature=1200, model='Dixon', fractionate_vapor=0).result

But If I change H2O = 2 when I define the sample, it never gives an output, but also doesn't return any error messages (E.g., Kernel keeps going forever).

PennyWieser commented 3 years ago

Just realized this is the same as #123 .. Those issues still exist...Waiting for Jackie to send a degassing path

simonwmatthews commented 3 years ago

How are you changing the composition? By complete duplication of the code?

PennyWieser commented 3 years ago

Yes, second code is exactly the same, just H2O=2 not 1 (have it in 2 scripts so it doesnt kill the other script)