Removes plot_hrex_replica_state_distribution_convergence from timemachine.fe.plots. This plot has never been particularly useful, and the current implementation uses a lot of memory (~300 MB according to local profiling).
Miscellaneous organization/cleanup
moves HREXPlots to timemachine.fe.free_energy alongside PairBarPlots (there's no plotting code in timemachine.md.hrex, and the abstractions in the latter are higher-level than the plots, e.g. not assuming a 1-d chain of states)
removes an unused argument from plot_chiral_restraint_energies
NOTE: merging this will require downstream changes
plot_hrex_replica_state_distribution_convergencefromtimemachine.fe.plots. This plot has never been particularly useful, and the current implementation uses a lot of memory (~300 MB according to local profiling).HREXPlotstotimemachine.fe.free_energyalongsidePairBarPlots(there's no plotting code intimemachine.md.hrex, and the abstractions in the latter are higher-level than the plots, e.g. not assuming a 1-d chain of states)plot_chiral_restraint_energiesNOTE: merging this will require downstream changes
Example of the removed plot: