pub struct MethodInfo {
pub name: &'static str,
pub category: &'static str,
pub description: &'static str,
pub programs: &'static [&'static str],
pub example: Option<&'static str>,
}Expand description
Method information Information about a quantum chemistry method.
This struct provides details for each QM method, including its name, category (e.g., “DFT”, “Post-HF”), a description, the programs that support it, and an example of its usage.
Fields§
§name: &'static strThe name of the method (e.g., “B3LYP”, “MP2”).
category: &'static strThe category of the method (e.g., “DFT”, “Post-HF”, “Multireference”).
description: &'static strA brief description of the method.
programs: &'static [&'static str]A list of QM programs that support this method.
example: Option<&'static str>An example of how to specify this method in the input.
Trait Implementations§
Source§impl Clone for MethodInfo
impl Clone for MethodInfo
Source§fn clone(&self) -> MethodInfo
fn clone(&self) -> MethodInfo
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 moreAuto Trait Implementations§
impl Freeze for MethodInfo
impl RefUnwindSafe for MethodInfo
impl Send for MethodInfo
impl Sync for MethodInfo
impl Unpin for MethodInfo
impl UnsafeUnpin for MethodInfo
impl UnwindSafe for MethodInfo
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.