chappertron / thermotar Goto Github PK

• Add options ot add averages and drift lines to the plots. Shade these by the error bars
• Allow multiple properties to be on the same plot.

Currently, gives an error if plotting a single property, because it plt.subplots doesn't give a list of plots if only one plot is used.

• Add check for number of properties to plot
• Allow interfinder make_plots to plot a single property
• make extrap options default to None
• [ ]

Trimming is useful for removing the thermostatting regions.
Smoothing is useful for removing noise.

Implementing for the Chunk class saves this being done in pandas then creating a new chunk object.

Adding a new line at the end of the lammps output causes a cryptic index out of bounds issue.