pub enum CoeffCheckMode {
None,
Regular,
ForceRecent,
Combined,
RegularNoCosine,
}Expand description
Coefficient check mode for GDIIS validation.
Controls validation of DIIS coefficients.
Variants§
None
No coefficient check (IChkC=0)
Regular
Regular coefficient check (IChkC=1)
ForceRecent
Force last two vectors to have larger weight (IChkC=2)
Combined
Combined: Regular + ForceRecent (IChkC=3)
RegularNoCosine
Regular without cosine modification (IChkC=4)
Trait Implementations§
Source§impl Clone for CoeffCheckMode
impl Clone for CoeffCheckMode
Source§fn clone(&self) -> CoeffCheckMode
fn clone(&self) -> CoeffCheckMode
Returns a duplicate of the value. Read more
1.0.0 · 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 CoeffCheckMode
impl Debug for CoeffCheckMode
Source§impl Default for CoeffCheckMode
impl Default for CoeffCheckMode
Source§fn default() -> CoeffCheckMode
fn default() -> CoeffCheckMode
Returns the “default value” for a type. Read more
Source§impl PartialEq for CoeffCheckMode
impl PartialEq for CoeffCheckMode
impl Copy for CoeffCheckMode
impl Eq for CoeffCheckMode
impl StructuralPartialEq for CoeffCheckMode
Auto Trait Implementations§
impl Freeze for CoeffCheckMode
impl RefUnwindSafe for CoeffCheckMode
impl Send for CoeffCheckMode
impl Sync for CoeffCheckMode
impl Unpin for CoeffCheckMode
impl UnsafeUnpin for CoeffCheckMode
impl UnwindSafe for CoeffCheckMode
Blanket Implementations§
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<SS, SP> SupersetOf<SS> for SPwhere
SS: SubsetOf<SP>,
impl<SS, SP> SupersetOf<SS> for SPwhere
SS: SubsetOf<SP>,
§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 more§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).§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.§fn from_subset(element: &SS) -> SP
fn from_subset(element: &SS) -> SP
The inclusion map: converts
self to the equivalent element of its superset.