gro_exp.utils

Functions

bench_plot(ns_day, cpus[, nodes])	Function to plot speedup and cpu efficieny over the CPUs.
bench_table(ns_day, cpus, ns[, nodes, print_con])	Function to plot speedup and cpu efficieny over the CPUs.
density(filename[, is_print, is_plot, ...])	The function enables a calculation of the mean density in as simulation box and can plot the density over the box.
load_data(link)	Load an object files using pickle in the specified link.
msd(filename[, is_print, is_plot, kwargs_line])	The function enables a display of the MSD history calculated by Gromacs by reading out a Gromacs xvg output file.
msd_fit(data_msd[, area, is_plot, is_print, ...])	Function to fit the msd calculated with gromacs by hand.
save_data(link, data)	Save an object files using pickle in the specified link.