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
Massive refactoring of PhaseDiagram. Now, PDAnalyzer is completely defunct
and all analysis is carried out within PhaseDiagram itself, e.g.,
pd.get_e_above_hull as opposed to PDAnalyzer(pd).get_e_above_hull.
Refactoring of structure prediction. Now in
pymatgen.analysis.structure_prediction.
New core Spectrum object and associated pymatgen.vis.plotters.SpectrumPlotter.
Parsing energies from gen_scfman module in Qchem 5 (Brandon Wood)