pub struct BarostatCfg {
pub pressure_target: f32,
pub tau: f32,
pub solvent_compressibility: f64,
}Fields§
§pressure_target: f32The barostat attempts to maintain this paressure. Bar (Pa/100).
tau: f32The time constant for pressure coupling. ps.
solvent_compressibility: f64Also known as kappa_t. bar^‑1 (≈4.5×10⁻⁵ for solvent at 300K, 1bar)
Trait Implementations§
Source§impl Clone for BarostatCfg
impl Clone for BarostatCfg
Source§fn clone(&self) -> BarostatCfg
fn clone(&self) -> BarostatCfg
Returns a duplicate of the value. Read more
1.0.0 (const: unstable) · Source§fn clone_from(&mut self, source: &Self)
fn clone_from(&mut self, source: &Self)
Performs copy-assignment from
source. Read moreSource§impl Debug for BarostatCfg
impl Debug for BarostatCfg
Source§impl Default for BarostatCfg
impl Default for BarostatCfg
Source§impl PartialEq for BarostatCfg
impl PartialEq for BarostatCfg
impl StructuralPartialEq for BarostatCfg
Auto Trait Implementations§
impl Freeze for BarostatCfg
impl RefUnwindSafe for BarostatCfg
impl Send for BarostatCfg
impl Sync for BarostatCfg
impl Unpin for BarostatCfg
impl UnsafeUnpin for BarostatCfg
impl UnwindSafe for BarostatCfg
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Source§impl<T> BorrowMut<T> for Twhere
T: ?Sized,
impl<T> BorrowMut<T> for Twhere
T: ?Sized,
Source§fn borrow_mut(&mut self) -> &mut T
fn borrow_mut(&mut self) -> &mut T
Mutably borrows from an owned value. Read more
Source§impl<T> CloneToUninit for Twhere
T: Clone,
impl<T> CloneToUninit for Twhere
T: Clone,
impl<T> ErasedDestructor for Twhere
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Source§impl<T> IntoEither for T
impl<T> IntoEither for T
Source§fn into_either(self, into_left: bool) -> Either<Self, Self> ⓘ
fn into_either(self, into_left: bool) -> Either<Self, Self> ⓘ
Converts
self into a Left variant of Either<Self, Self>
if into_left is true.
Converts self into a Right variant of Either<Self, Self>
otherwise. Read moreSource§fn into_either_with<F>(self, into_left: F) -> Either<Self, Self> ⓘ
fn into_either_with<F>(self, into_left: F) -> Either<Self, Self> ⓘ
Converts
self into a Left variant of Either<Self, Self>
if into_left(&self) returns true.
Converts self into a Right variant of Either<Self, Self>
otherwise. Read moreSource§impl<T> Pointable for T
impl<T> Pointable for T
impl<T> Scalar for T
Source§impl<SS, SP> SupersetOf<SS> for SPwhere
SS: SubsetOf<SP>,
impl<SS, SP> SupersetOf<SS> for SPwhere
SS: SubsetOf<SP>,
Source§fn to_subset(&self) -> Option<SS>
fn to_subset(&self) -> Option<SS>
The inverse inclusion map: attempts to construct
self from the equivalent element of its
superset. Read moreSource§fn is_in_subset(&self) -> bool
fn is_in_subset(&self) -> bool
Checks if
self is actually part of its subset T (and can be converted to it).Source§fn to_subset_unchecked(&self) -> SS
fn to_subset_unchecked(&self) -> SS
Use with care! Same as
self.to_subset but without any property checks. Always succeeds.Source§fn from_subset(element: &SS) -> SP
fn from_subset(element: &SS) -> SP
The inclusion map: converts
self to the equivalent element of its superset.