newanalysis.diffusion.msdMJcrossterms

newanalysis.diffusion.msdMJcrossterms(coms_s1, coms_s2, charge_s1, charge_s2, maxlen=None)

Calculates the MJ^2 correlation function for two arbitrary species. Takes two center-of-mass arrays of the whole unfolded trajectory, one for first species, the other for second species.

Usage:

msdmj = msdMJ(coms_cat, coms_an)