I am currently trying to calculate an integration formula of a linear response function by Monte Carlo method. It is a multiple integration over three 3D vectors, i.e., nine dimensions in all. And ...
Why isn't the Gear predictor-corrector algorithm for integration of the equations of motion symplectic?
Okumura et al., J. Chem. Phys. 2007 states that the Gear predictor-corrector integration scheme, used in particular in some molecular dynamics packages for the dynamics of rigid bodies using ...