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

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pub struct LENNARDJONESFJC {
    pub hinge_mass: f64,
    pub link_length: f64,
    pub number_of_links: u8,
    pub link_stiffness: f64,
    pub asymptotic: LENNARDJONESFJC,
}
Expand description

The structure of the Lennard-Jones-FJC model thermodynamics in the isometric ensemble.

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§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).

§asymptotic: LENNARDJONESFJC

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

Implementations§

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impl LENNARDJONESFJC

The implemented functionality of the Lennard-Jones-FJC model thermodynamics in the isometric ensemble.

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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.

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