# [−]Struct lumol::sys::compute::AtomicVirial

pub struct AtomicVirial;

Compute the virial tensor of the system using the atomic definition.

$$\underline{W} = \sum_i \vec r_i \otimes \vec f_i - \underline H \frac{\partial U}{\partial \underline H}$$

where $\underline{H}$ is the unit cell matrix, $\vec f_i$ the force acting on the atom $i$ and $\vec r_i$ the position of the atom $i$

If all the interactions are pair interactions, this definition reduces to $$\underline{W} = \sum_i \sum_{j > i} \vec r_{ij} \otimes \vec f_{ij}$$

## Trait Implementations

### impl Compute for AtomicVirial

#### type Output = Matrix3

The data type of the property

## Blanket Implementations

### impl<T> Pointable for T

#### type Init = T

The type for initializers.

### impl<T, U> TryFrom<U> for T where    U: Into<T>, [src]

#### type Error = Infallible

The type returned in the event of a conversion error.

### impl<T, U> TryInto<U> for T where    U: TryFrom<T>, [src]

#### type Error = <U as TryFrom<T>>::Error

The type returned in the event of a conversion error.