Struct polymers::physics::single_chain::ufjc::lennard_jones::thermodynamics::isometric::asymptotic::LENNARDJONESFJC

pub struct LENNARDJONESFJC {
    pub hinge_mass: f64,
    pub link_length: f64,
    pub number_of_links: u8,
    pub link_stiffness: f64,
    pub reduced: LENNARDJONESFJC,
    pub legendre: LENNARDJONESFJC,
}

The structure of the Lennard-Jones-FJC model thermodynamics in the isometric ensemble approximated using an asymptotic approach.

Fields

hinge_mass: f64

The mass of each hinge in the chain in units of kg/mol.

link_length: f64

The length of each link in the chain in units of nm.

number_of_links: u8

The number of links in the chain.

link_stiffness: f64

The stiffness of each link in the chain in units of J/(mol⋅nm^2).

reduced: LENNARDJONESFJC

The thermodynamic functions of the model in the isometric ensemble approximated using a reduced asymptotic approach.

legendre: LENNARDJONESFJC

The thermodynamic functions of the model in the isometric ensemble approximated using an asymptotic approach and a Legendre transformation.

Implementations

impl LENNARDJONESFJC

The implemented functionality of the Lennard-Jones-FJC model thermodynamics in the isometric ensemble approximated using an asymptotic approach.

pub fn init( number_of_links: u8, link_length: f64, hinge_mass: f64, link_stiffness: f64, ) -> Self

Initializes and returns an instance of the Lennard-Jones-FJC model thermodynamics in the isometric ensemble approximated using an asymptotic approach.