You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
When I take Cu, Cu7S4, and Li3CuS2 as the products of the hydrolysis reaction of LiCuS, it reports a decomposition from LiCuS to Cu, Cu7S4, and Li3CuS2. However, the H2O and H2S are also listed in reactant and product entries, respectively. Moreover, when I normalize the decomposition to H2O or H2S, it reports a wrong hydrolysis reaction with strange stoichiometric numbers.
Expected Behavior
The reaction with imbalanced reactant and product entries is expected to be reported as None. And I wonder why the error normalization occured.
Python version
Python 3.10.6
Pymatgen version
2024.8.8
Operating system version
Windows
Current behavior
When I take Cu, Cu7S4, and Li3CuS2 as the products of the hydrolysis reaction of LiCuS, it reports a decomposition from LiCuS to Cu, Cu7S4, and Li3CuS2. However, the H2O and H2S are also listed in reactant and product entries, respectively. Moreover, when I normalize the decomposition to H2O or H2S, it reports a wrong hydrolysis reaction with strange stoichiometric numbers.
Expected Behavior
The reaction with imbalanced reactant and product entries is expected to be reported as None. And I wonder why the error normalization occured.
Minimal example
Relevant files to reproduce this bug
No response
The text was updated successfully, but these errors were encountered: