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andreww / pvt_eos

Quick PVT EOS fitter / evaluator for project student
MIT License
3 stars 2 forks source link

Other equations of state #3

Open andreww opened 7 years ago

andreww commented 7 years ago

Currently the code only fits the 3rd order BM EOS. It would be nice to give a range of different EOSs to fit to. It may be worth using Sympy to implement this using symbolic algebra to transform between the F=f(V) form and P=f(V) form. This should be simple, and if this is in place adding all functions (and even letting the user set the functions) should be a doddle.

andreww commented 7 years ago

One thing that would be useful is fitting something arbitrary for oddly behaved materials.