Release v0.6.0 · andthum/lintf2_ether_ana_postproc

What's Changed

New script plot_diff_coeff_salt_per_chain.py to plot the center-of-mass self-diffusion coefficients of Li, TFSI and PEO as function of the number of lithium ions per PEO chain by @andthum in #70
plot_lig_change_at_pos_change_blocks_*.py: Set a common upper limit for the y axis of the plot of the number of valid barrier transitions by @andthum in #71
plot_hex_bin_lifetimes_conc_dependence.py: Additionally, plot characteristics of the residence time distribution by @andthum in #72
plot_displvar_layer_vs_time.py and plot_displvar_cross_section_xyz_at_const_time.py: Additionally, plot the true MSD by @andthum in #73
plot_displvar_cross_section_at_const_time_*.py: Implement common y axis limits by @andthum in #75
New script plot_volume_per_salt_conc_dependence.py to plot the time-averaged total volume of the system divided by the total number of salt formula units as function of the inverse salt concentration by @andthum in #80
plot_contact_hist_*.py: Additionally, plot the average denticity of lithium-ligand complexes and the denticity distribution by @andthum in #90

plot_renewal_event_num_*.py: Fix a type casting bug in the calculation of the number of renewal events per reference compound in bulk simulations by @andthum in #83
plot_free-energy_trans_rate_*_cluster.py: Add missing beta in the expression for the Boltzmann weight for
calculating the transition rates from the barrier heights by @andthum in #87

Full Changelog: v0.5.0...v0.6.0