Struct polymers::physics::single_chain::ufjc::morse::thermodynamics::isometric::asymptotic::MORSEFJC

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pub struct MORSEFJC {
    pub hinge_mass: f64,
    pub link_length: f64,
    pub number_of_links: u8,
    pub link_stiffness: f64,
    pub link_energy: f64,
    pub reduced: MORSEFJC,
    pub legendre: MORSEFJC,
}
Expand description

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

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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).

§link_energy: f64

The energy of each link in the chain in units of J/mol.

§reduced: MORSEFJC

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

§legendre: MORSEFJC

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

Implementations§

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impl MORSEFJC

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

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

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

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