newanalysis.diffusion.msdMJdecomp

newanalysis.diffusion.msdMJdecomp(coms_cat, coms_an, coms_sep, charge, maxlen=None)

Calculates part of total autocorrelation, namely <dMj(species,t)dMj(total,t)>.

Takes three center-of-mass arrays of the whole unfolded trajectory, one for cations, the second for anions, the third of the separate species and an integer that specifies the charge of the separate species.