VlachosGroup / pMuTT

Python Multiscale Thermochemistry Toolbox (pMuTT)
https://vlachosgroup.github.io/pMuTT/
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Ability to create a matrix from vectors and scalars is deprecated #207

Closed wittregr closed 1 year ago

wittregr commented 1 year ago

Version of pMuTT 1.3.1

When creating a matrix to compute thermodynamic quantities from empirical relationships in pmutt. empirical.nasa an warning is raised indicating the operation is deprecated due to the combined use of vectors (values of T) and scalars 0 and 1.

T_arr = np.array([-(T-2) / 2., -(T-1), np.log(T), T, (T2) / 2., (T3) / 3., (T**4) / 4., 0, 1])

wittregr commented 1 year ago

This has been corrected by replacing the scalars with vectors.

T_arr = np.array([-(T-2) / 2., -(T-1), np.log(T), T, (T2) / 2., (T3) / 3., (T**4) / 4., np.zeros_like(T), np.ones_like(T)])