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Describe the bug The Peng-Robinson example fails, producing the following output:
(despasito_env) jackson@jackson-Precision-7540:~/despasito/despasito/examples/cubic_peng_robinson/acetone_chloroform$ cat out_xi.txt # This data was generated in DESPASITO using the thermodynamic # T [K], xi1, xi2, P [Pa], yi1, yi2, flagl, flagv, obj, 335.75, 0.098, 0.902, nan, nan, nan, 3, 3, nan, 336.65, 0.186, 0.814, nan, nan, nan, 3, 3, nan, 337.25, 0.266, 0.734, nan, nan, nan, 3, 3, nan, 337.55, 0.36, 0.64, nan, nan, nan, 3, 3, nan, 336.95, 0.468, 0.532, nan, nan, nan, 3, 3, nan, 335.85, 0.578, 0.422, nan, nan, nan, 3, 3, nan, 334.65, 0.673, 0.327, nan, nan, nan, 3, 3, nan, 333.45, 0.755, 0.245, nan, nan, nan, 3, 3, nan, 332.15, 0.827, 0.173, nan, nan, nan, 3, 3, nan,
with these log messages at the end of execution:
INFO:despasito.thermodynamics.calc:Obj Func: -0.00027928178452807373, Pset: 100176.90109275474, Pcalc: 100176.90109270591 WARNING:despasito.thermodynamics.calculation_types:T (K), xi: 332.15 [0.827 0.173], calculation did not produce a valid result. INFO:despasito.thermodynamics.calculation_types:P (Pa), yi: nan [nan nan] INFO:despasito.thermodynamics.calculation_types:--- Calculation bubble_pressure Complete ---
To Reproduce
Expected behavior This is presumably supposed to produce some actual profiles
Desktop (please complete the following information):
Additional context Despasito 0.3.0
This issue is part of an ongoing JOSS review at openjournals/joss-reviews#7365
The text was updated successfully, but these errors were encountered:
@JacksonBurns this was addressed in #39 sorry I accidentally committed this to another PR.
Sorry, something went wrong.
Changed for these comments have been moved to #40
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Describe the bug
The Peng-Robinson example fails, producing the following output:
with these log messages at the end of execution:
To Reproduce
Expected behavior
This is presumably supposed to produce some actual profiles
Desktop (please complete the following information):
Additional context
Despasito 0.3.0
This issue is part of an ongoing JOSS review at openjournals/joss-reviews#7365
The text was updated successfully, but these errors were encountered: