RingPolymers

Constructor for choosing specific elements to be quantum.

Constructor for the case where all nuclei are quantum.

cayley_propagator(beads::RingPolymerParameters{T}, dt::Real; half::Bool=true) where {T}

J. Chem. Phys. 151, 124103 (2019); doi: 10.1063/1.5120282

get_spring_energy(beads::RingPolymerParameters, masses, R)

Calculate the ring polymer spring potential.

get_L(n_beads, mass, ω_n)

Return the Circulant symmetric matrix for the ring polymer springs.