Struct Langevin2DF32

pub struct Langevin2DF32 {
    pub pos: Matrix<f32, Const<2>, Const<1>, ArrayStorage<f32, 2, 1>>,
    pub vel: Matrix<f32, Const<2>, Const<1>, ArrayStorage<f32, 2, 1>>,
    pub mass: f32,
    pub damping: f32,
    pub kb_temperature: f32,
}

Available on crate feature elli only.

Langevin dynamics

Parameters & Variables

Symbol	Struct Field	Description
$M$	mass	Mass of the particle.
$\gamma$	damping	Damping constant
$k_BT$	kb_temperature	Product of temperature $T$ and Boltzmann constant $k_B$.
$\vec{X}$	pos	Position of the particle.
$\dot{\vec{X}}$	vel	Velocity of the particle.
$R(t)$	(automatically generated)	Gaussian process

Equations

\begin{equation} M \ddot{\mathbf{X}} = - \mathbf{\nabla} U(\mathbf{X}) - \gamma M\dot{\mathbf{X}} + \sqrt{2 M \gamma k_{\rm B} T}\mathbf{R}(t) \end{equation}

Fields

pos: Matrix<f32, Const<2>, Const<1>, ArrayStorage<f32, 2, 1>>

Current position

vel: Matrix<f32, Const<2>, Const<1>, ArrayStorage<f32, 2, 1>>

Current velocity

mass: f32

Mass of the object

damping: f32

Damping constant

kb_temperature: f32

Product of Boltzmann constant and temperature

Implementations

impl Langevin2DF32

pub fn get_position(&self) -> [f32; 2]

Available on crate feature cpu_os_threads only.

[pyo3] getter for position

pub fn set_position(&mut self, pos: [f32; 2])

Available on crate feature cpu_os_threads only.

[pyo3] setter for position

pub fn get_damping(&self) -> f32

Available on crate feature cpu_os_threads only.

[pyo3] getter for damping

pub fn set_damping(&mut self, damping: f32)

Available on crate feature cpu_os_threads only.

[pyo3] setter for damping

pub fn get_mass(&self) -> f32

Available on crate feature cpu_os_threads only.

[pyo3] getter for mass

pub fn set_mass(&mut self, mass: f32)

Available on crate feature cpu_os_threads only.

[pyo3] setter for mass

pub fn get_kb_temperature(&self) -> f32

Available on crate feature cpu_os_threads only.

[pyo3] getter for kb_temperature

pub fn set_kb_temperature(&mut self, kb_temperature: f32)

Available on crate feature cpu_os_threads only.

[pyo3] setter for kb_temperature

Trait Implementations

impl AbsDiffEq for Langevin2DF32

type Epsilon = <f32 as AbsDiffEq>::Epsilon

Used for specifying relative comparisons.

fn default_epsilon() -> <Langevin2DF32 as AbsDiffEq>::Epsilon

The default tolerance to use when testing values that are close together.

fn abs_diff_eq( &self, other: &Langevin2DF32, epsilon: <Langevin2DF32 as AbsDiffEq>::Epsilon, ) -> bool

A test for equality that uses the absolute difference to compute the approximimate equality of two numbers.

fn abs_diff_ne(&self, other: &Rhs, epsilon: Self::Epsilon) -> bool

The inverse of [AbsDiffEq::abs_diff_eq].

impl Clone for Langevin2DF32

fn clone(&self) -> Langevin2DF32

Returns a copy of the value.

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source.

impl Debug for Langevin2DF32

fn fmt(&self, f: &mut Formatter<'_>) -> Result<(), Error>

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for Langevin2DF32

fn deserialize<__D>( __deserializer: __D, ) -> Result<Langevin2DF32, <__D as Deserializer<'de>>::Error>

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl IntoPy<Py<PyAny>> for Langevin2DF32

fn into_py(self, py: Python<'_>) -> Py<PyAny>

👎Deprecated since 0.23.0: IntoPy is going to be replaced by IntoPyObject. See the migration guide (https://pyo3.rs/v0.23.0/migration) for more information.

Performs the conversion.

impl<'py> IntoPyObject<'py> for Langevin2DF32

type Target = Langevin2DF32

The Python output type

type Output = Bound<'py, <Langevin2DF32 as IntoPyObject<'py>>::Target>

The smart pointer type to use.

type Error = PyErr

The type returned in the event of a conversion error.

fn into_pyobject( self, py: Python<'py>, ) -> Result<<Langevin2DF32 as IntoPyObject<'py>>::Output, <Langevin2DF32 as IntoPyObject<'py>>::Error>

Performs the conversion.

impl Mechanics<Matrix<f32, Const<2>, Const<1>, ArrayStorage<f32, 2, 1>>, Matrix<f32, Const<2>, Const<1>, ArrayStorage<f32, 2, 1>>, Matrix<f32, Const<2>, Const<1>, ArrayStorage<f32, 2, 1>>, f32> for Langevin2DF32

fn get_random_contribution( &self, rng: &mut ChaCha8Rng, dt: f32, ) -> Result<(Matrix<f32, Const<2>, Const<1>, ArrayStorage<f32, 2, 1>>, Matrix<f32, Const<2>, Const<1>, ArrayStorage<f32, 2, 1>>), RngError>

Define a new random variable in case that the mechanics type contains a random aspect to its motion. By default this function does nothing.

fn calculate_increment( &self, force: Matrix<f32, Const<2>, Const<1>, ArrayStorage<f32, 2, 1>>, ) -> Result<(Matrix<f32, Const<2>, Const<1>, ArrayStorage<f32, 2, 1>>, Matrix<f32, Const<2>, Const<1>, ArrayStorage<f32, 2, 1>>), CalcError>

Calculate the time-derivative of force and velocity given all the forces that act on the cell. Simple damping effects should be included in this trait if not explicitly given by the SubDomainForce trait.

impl PartialEq for Langevin2DF32

fn eq(&self, other: &Langevin2DF32) -> bool

Tests for self and other values to be equal, and is used by ==.

fn ne(&self, other: &Rhs) -> bool

Tests for !=. The default implementation is almost always sufficient, and should not be overridden without very good reason.

impl Position<Matrix<f32, Const<2>, Const<1>, ArrayStorage<f32, 2, 1>>> for Langevin2DF32

fn pos(&self) -> Matrix<f32, Const<2>, Const<1>, ArrayStorage<f32, 2, 1>>

Gets the cells current position.

fn set_pos( &mut self, pos: &Matrix<f32, Const<2>, Const<1>, ArrayStorage<f32, 2, 1>>, )

Gets the cells current velocity.

impl PyClass for Langevin2DF32

type Frozen = False

Whether the pyclass is frozen.

impl PyTypeInfo for Langevin2DF32

const NAME: &'static str = "Langevin2DF32"

Class name.

const MODULE: Option<&'static str> = ::core::option::Option::None

Module name, if any.

fn type_object_raw(py: Python<'_>) -> *mut PyTypeObject

Returns the PyTypeObject instance for this type.

fn type_object(py: Python<'_>) -> Bound<'_, PyType>

Returns the safe abstraction over the type object.

fn type_object_bound(py: Python<'_>) -> Bound<'_, PyType>

👎Deprecated since 0.23.0: renamed to PyTypeInfo::type_object

Deprecated name for [PyTypeInfo::type_object].

fn is_type_of(object: &Bound<'_, PyAny>) -> bool

Checks if object is an instance of this type or a subclass of this type.

fn is_type_of_bound(object: &Bound<'_, PyAny>) -> bool

👎Deprecated since 0.23.0: renamed to PyTypeInfo::is_type_of

Deprecated name for [PyTypeInfo::is_type_of].

fn is_exact_type_of(object: &Bound<'_, PyAny>) -> bool

Checks if object is an instance of this type.

fn is_exact_type_of_bound(object: &Bound<'_, PyAny>) -> bool

👎Deprecated since 0.23.0: renamed to PyTypeInfo::is_exact_type_of

Deprecated name for [PyTypeInfo::is_exact_type_of].

impl RelativeEq for Langevin2DF32

fn default_max_relative() -> <Langevin2DF32 as AbsDiffEq>::Epsilon

The default relative tolerance for testing values that are far-apart.

fn relative_eq( &self, other: &Langevin2DF32, epsilon: <Langevin2DF32 as AbsDiffEq>::Epsilon, max_relative: <Langevin2DF32 as AbsDiffEq>::Epsilon, ) -> bool

A test for equality that uses a relative comparison if the values are far apart.

fn relative_ne( &self, other: &Rhs, epsilon: Self::Epsilon, max_relative: Self::Epsilon, ) -> bool

The inverse of [RelativeEq::relative_eq].

impl Serialize for Langevin2DF32

fn serialize<__S>( &self, __serializer: __S, ) -> Result<<__S as Serializer>::Ok, <__S as Serializer>::Error>

where __S: Serializer,

Serialize this value into the given Serde serializer.

impl Velocity<Matrix<f32, Const<2>, Const<1>, ArrayStorage<f32, 2, 1>>> for Langevin2DF32

fn velocity(&self) -> Matrix<f32, Const<2>, Const<1>, ArrayStorage<f32, 2, 1>>

Gets the cells current velocity.

fn set_velocity( &mut self, velocity: &Matrix<f32, Const<2>, Const<1>, ArrayStorage<f32, 2, 1>>, )

Sets the cells current velocity.

impl DerefToPyAny for Langevin2DF32

impl StructuralPartialEq for Langevin2DF32