Plots are currently automatically generated by run_rdf_test, but this does not allow any control over the plots produced, including the axis units, which should be in nm rather than Angstrom.
This also does not accurately handle comparisons of replicated systems with the reference. We typically want the range to be limited to that of the reference, and the errors should not be calculated for values beyond the reference.
Much of this should be solvable by creating our own plots using the .pkl files that are saved.
Plots are currently automatically generated by
run_rdf_test, but this does not allow any control over the plots produced, including the axis units, which should be in nm rather than Angstrom.This also does not accurately handle comparisons of replicated systems with the reference. We typically want the range to be limited to that of the reference, and the errors should not be calculated for values beyond the reference.
Much of this should be solvable by creating our own plots using the .pkl files that are saved.