Enum SimBoxInit 

pub enum SimBoxInit {
    Pad(f32),
    Fixed((Vec3, Vec3)),
}

Note: The shortest edge should be > 2(r_cutoff + r_skin), to prevent atoms from interacting with their own image in the real-space component.

Variants

Pad(f32)

Distance in Å from the edge to the molecule, at init.

Fixed((Vec3, Vec3))

Coordinate boundaries, at opposite corners

Trait Implementations

impl Clone for SimBoxInit

fn clone(&self) -> SimBoxInit

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for SimBoxInit

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

Formats the value using the given formatter.

impl Default for SimBoxInit

fn default() -> Self

Returns the “default value” for a type.

impl PartialEq for SimBoxInit

fn eq(&self, other: &SimBoxInit) -> 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 StructuralPartialEq for SimBoxInit