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alchemlyb.visualisation.plot_ti_dhdl.rst

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Plot dhdl from TI

The function ~alchemlyb.visualisation.plot_ti_dhdl allows the user to plot the dhdl from ~alchemlyb.estimators.TI estimator. Several ~alchemlyb.estimators.TI estimators could be passed to the function to give a concerted picture of the whole alchemical transformation. When custom labels are desirable, the user could pass a list of strings to the labels for labelling each alchemical transformation differently. The color of each alchemical transformation could also be set by passing a list of color string to the colors. The unit in the y axis could be labelled to other units by setting units, which by default is kT. The user can pass matplotlib.axes.Axes into the function to have the dhdl drawn on a specific axes.

Please check How to plot TI dhdl <plot_TI_dhdl> for usage.

API Reference

alchemlyb.visualisation.plot_ti_dhdl