HYDRODYNAMICS_UTILS module

t1t2ne.scripts.hydrodynamics_utils.recompute_tau(tau, T_new, T_old=298.15)[source]: Recompute the correlation time tau at a new temperature T_new, given the old temperature T_old and the old correlation time tau. Assumes that the correlation time is proportional to the viscosity of water at the given temperature, and inversely proportional to temperature, according to the Stokes-Einstein relation.

t1t2ne.scripts.hydrodynamics_utils.water_viscosity(T)[source]: Returns the viscosity of water in centipoise at temperature T (Kelvin) Equation from CRC Handbook of Chemistry and Physics, 96th Edition, 2015