MACE-MP pair repulsion curves #127
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…adme update *.json.lzma phonon docs format to serialized PhononDBDocParsed
…se | dict) and elem_type_legend (bool) to ptable_plots
…ete ptable-scatters.svg
janosh
added
docs
|
waiting on bug fix release of materialsvirtuallab/monty#646 |
… and make pymatviz PhononDBDoc support it
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37aa53e breaking: rename ptable_scatters to ptable_scatter_line and add ax_kwds keyword
49779ff refactor examples/dataset_exploration/matbench/phonons/explore_phonons.py
d1b8d50 add plot_phonon_bands_and_dos(single_bands, single_dos) example to readme
11314e5 add keyword on_empty: Literal["hide", "show"] = "hide" to ptable_(hists|scatters)
87365ab rename ptable_scatter_line to ptable_plots
e862fc9 add keywords color_elem_types ("symbol" | "background" | "both" | False | dict) and elem_type_legend (bool) to ptable_plots
700696c calculate and plot pair-repulsion curves for diatomic molecules with MACE-MP
82f2f3c use diatomics/homo-nuclear-mace-medium.svg image links in readme, delete ptable-scatters.svg