shnitsel.vis.datasheet.figures.per_state_hist#

Attributes#

symbols

Functions#

plot_per_state_histograms(per_state, state_selection)

Function to plot the per-state energy, forces and permanent dipole histogram plots.

Module Contents#

symbols#
plot_per_state_histograms(per_state, state_selection, shape=None, axs=None, fig=None)#

Function to plot the per-state energy, forces and permanent dipole histogram plots.

Parameters:

  • per_state (PerState) – A dataset with per-state observable data.

  • (StateSelection (state_selection) – State selection object to limit the states included in plotting and to provide state names.

  • axs (dict[str, Axes] | None, optional) – The map of subplot-axes. Keys identify the subplots (energy, forces, dip_perm) and the values are the axes to plot the subplot to. Defaults to None.

  • shape (tuple[int, int] | None, optional) – Optional argument to reshape the per-state plots into another arrangement of rows and columns. First argument number of rows, second the number of columns.

  • fig (Figure | SubFigure | None, optional) – Figure to generated axes from. Defaults to None.

  • state_selection (shnitsel.filtering.state_selection.StateSelection)

Returns:

The axes dictionary after plotting.

Return type:

dict[str, Axes]