Trait Potential 

pub trait Potential
where
    Self: Clone + Debug,
{
    // Required methods
    fn energy(&self, length: Scalar) -> Scalar;
    fn force(&self, length: Scalar) -> Scalar;
    fn forces_at_energy(&self, energy: Scalar) -> ScalarList<2>;
    fn stiffness(&self, length: Scalar) -> Scalar;
    fn anharmonicity(&self, length: Scalar) -> Scalar;
    fn extension(&self, force: Scalar) -> Scalar;
    fn extensions_at_energy(&self, energy: Scalar) -> ScalarList<2>;
    fn compliance(&self, force: Scalar) -> Scalar;
    fn peak(&self) -> Scalar;
    fn peak_force(&self) -> Scalar;
    fn rest_length(&self) -> Scalar;

    // Provided methods
    fn nondimensional_energy(
        &self,
        nondimensional_length: Scalar,
        temperature: Scalar,
    ) -> Scalar { ... }
    fn energy_at_force(&self, force: Scalar) -> Scalar { ... }
    fn nondimensional_energy_at_nondimensional_force(
        &self,
        nondimensional_force: Scalar,
        temperature: Scalar,
    ) -> Scalar { ... }
    fn nondimensional_force(
        &self,
        nondimensional_length: Scalar,
        temperature: Scalar,
    ) -> Scalar { ... }
    fn nondimensional_forces_at_nondimensional_energy(
        &self,
        nondimensional_energy: Scalar,
        temperature: Scalar,
    ) -> ScalarList<2> { ... }
    fn nondimensional_stiffness(
        &self,
        nondimensional_length: Scalar,
        temperature: Scalar,
    ) -> Scalar { ... }
    fn nondimensional_anharmonicity(
        &self,
        nondimensional_length: Scalar,
        temperature: Scalar,
    ) -> Scalar { ... }
    fn legendre(&self, force: Scalar) -> Scalar { ... }
    fn nondimensional_legendre(
        &self,
        nondimensional_force: Scalar,
        temperature: Scalar,
    ) -> Scalar { ... }
    fn nondimensional_extension(
        &self,
        nondimensional_force: Scalar,
        temperature: Scalar,
    ) -> Scalar { ... }
    fn length(&self, force: Scalar) -> Scalar { ... }
    fn nondimensional_length(
        &self,
        nondimensional_force: Scalar,
        temperature: Scalar,
    ) -> Scalar { ... }
    fn nondimensional_extensions_at_nondimensional_energy(
        &self,
        nondimensional_energy: Scalar,
        temperature: Scalar,
    ) -> ScalarList<2> { ... }
    fn lengths_at_energy(&self, energy: Scalar) -> ScalarList<2> { ... }
    fn nondimensional_lengths_at_nondimensional_energy(
        &self,
        nondimensional_energy: Scalar,
        temperature: Scalar,
    ) -> ScalarList<2> { ... }
    fn nondimensional_compliance(
        &self,
        nondimensional_force: Scalar,
        temperature: Scalar,
    ) -> Scalar { ... }
}

Potential models.

Required Methods

fn energy(&self, length: Scalar) -> Scalar

u = u(x)

fn force(&self, length: Scalar) -> Scalar

f(x) = \frac{\partial u}{\partial x}

fn forces_at_energy(&self, energy: Scalar) -> ScalarList<2>

f = x^{-1}[u^{-1}(u)]

fn stiffness(&self, length: Scalar) -> Scalar

k(x) = \frac{\partial f}{\partial x}

fn anharmonicity(&self, length: Scalar) -> Scalar

h(x) = \frac{\partial k}{\partial x}

fn extension(&self, force: Scalar) -> Scalar

\Delta x(f) = -\frac{\partial v}{\partial f}

fn extensions_at_energy(&self, energy: Scalar) -> ScalarList<2>

\Delta x = u^{-1}(u) - x_0

fn compliance(&self, force: Scalar) -> Scalar

c(x) = \frac{\partial\Delta x}{\partial f}

fn peak(&self) -> Scalar

\text{arg max }u(x) = x_\mathrm{peak}

fn peak_force(&self) -> Scalar

f(x_\mathrm{peak}) = f_\mathrm{peak}

fn rest_length(&self) -> Scalar

\text{arg min }u(x) = x_0

Provided Methods

fn nondimensional_energy( &self, nondimensional_length: Scalar, temperature: Scalar, ) -> Scalar

\upsilon(\lambda) = \beta u

fn energy_at_force(&self, force: Scalar) -> Scalar

u = u[x(f)]

fn nondimensional_energy_at_nondimensional_force( &self, nondimensional_force: Scalar, temperature: Scalar, ) -> Scalar

\upsilon = \upsilon[\lambda(\eta)]

fn nondimensional_force( &self, nondimensional_length: Scalar, temperature: Scalar, ) -> Scalar

\eta(\lambda) = \frac{\partial\upsilon}{\partial \lambda}

fn nondimensional_forces_at_nondimensional_energy( &self, nondimensional_energy: Scalar, temperature: Scalar, ) -> ScalarList<2>

\eta = \lambda^{-1}[\upsilon^{-1}(\upsilon)]

fn nondimensional_stiffness( &self, nondimensional_length: Scalar, temperature: Scalar, ) -> Scalar

\kappa(x) = \frac{\partial\eta}{\partial\lambda}

fn nondimensional_anharmonicity( &self, nondimensional_length: Scalar, temperature: Scalar, ) -> Scalar

g(x) = \frac{\partial\kappa}{\partial\lambda}

fn legendre(&self, force: Scalar) -> Scalar

v(f) = u(x) - f\Delta x

fn nondimensional_legendre( &self, nondimensional_force: Scalar, temperature: Scalar, ) -> Scalar

\nu(\eta) = \upsilon(\lambda) - \eta\Delta\lambda

fn nondimensional_extension( &self, nondimensional_force: Scalar, temperature: Scalar, ) -> Scalar

\Delta\lambda(\eta) = -\frac{\partial\nu}{\partial\eta}

fn length(&self, force: Scalar) -> Scalar

x(f) = x_0 + \Delta x(f)

fn nondimensional_length( &self, nondimensional_force: Scalar, temperature: Scalar, ) -> Scalar

\lambda(\eta) = 1 + \Delta\lambda(\eta)

fn nondimensional_extensions_at_nondimensional_energy( &self, nondimensional_energy: Scalar, temperature: Scalar, ) -> ScalarList<2>

\Delta\lambda = \upsilon^{-1}(\upsilon) - 1

fn lengths_at_energy(&self, energy: Scalar) -> ScalarList<2>

x = u^{-1}(u)

fn nondimensional_lengths_at_nondimensional_energy( &self, nondimensional_energy: Scalar, temperature: Scalar, ) -> ScalarList<2>

\lambda = \upsilon^{-1}(\upsilon)

fn nondimensional_compliance( &self, nondimensional_force: Scalar, temperature: Scalar, ) -> Scalar

\zeta(x) = \frac{\partial\Delta\lambda}{\partial\eta}

Dyn Compatibility

This trait is not dyn compatible.

In older versions of Rust, dyn compatibility was called "object safety", so this trait is not object safe.

Implementors

impl Potential for Harmonic

impl Potential for Morse