MLatom 3.24.0

What's new in 3.24.0

• MLatom now prints the references to cite for AIQM3, UAIQM, OMNI-P2x, ANI-1ccx-gelu, DFT ensembles, and for IR spectra calculated with AIQM models. — Pavlo O. Dral
• Fixed the state energies read from MNDO's fort.15 when the requested gradient list does not start at the ground state. This affected the energies reported along a molecular dynamics trajectory, not the trajectory itself. — Mikołaj Martyka
• Fixed the filtering of initial conditions, where the molecules kept in the filtered database were all the same object, so that their electronic states and energies overwrote each other. — Mikołaj Martyka
• Downloading a model no longer hangs indefinitely on an unresponsive server, and a download that did not succeed is recognized as such instead of being kept as if it were the model: MLatom continues with the next download link and, if none of them work, reports where the files can be downloaded by hand. — @rayair250-droid and Pavlo O. Dral
• Fixed the type annotation of molecule.nstates, which used np.int, removed in NumPy 1.24. — @rayair250-droid

Install: pip install -U mlatom

Full release notes: http://mlatom.com/docs/releases.html