feos-org / feos-core

Core traits and functionalities for the `feos` project.

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State construction branches incorrectly for unorthodoxly specified states

prehner opened this issue · comments

In this example, the state is calculated using N=1 and the given volume instead of calculating the moles from a density iteration.

T = 25*CELSIUS
V = (100*ANGSTROM)**3
p = BAR
z = 3e-4
State(func, T, pressure=p, molefracs=np.array([1-z,z]), volume=V).pressure()
>>> 3.9624kPa