Struct rest_tensors::ri::RIFull
source · [−]Fields
size: [usize; 3]
Coloum-major 4-D ERI designed for quantum chemistry calculations specifically.
indicing: [usize; 3]
data: Vec<T>
Implementations
sourceimpl<T: Clone + Display + Send + Sync> RIFull<T>
impl<T: Clone + Display + Send + Sync> RIFull<T>
pub fn new(size: [usize; 3], new_default: T) -> RIFull<T>
pub fn empty() -> RIFull<T>
pub unsafe fn from_vec_unchecked(size: [usize; 3], new_vec: Vec<T>) -> RIFull<T>
pub fn from_vec(size: [usize; 3], new_vec: Vec<T>) -> Option<RIFull<T>>
pub fn get_reducing_matrix_mut(
&mut self,
i_reduced: usize
) -> Option<MatrixFullSliceMut<'_, T>>
pub fn get_reducing_matrix(
&self,
i_reduced: usize
) -> Option<MatrixFullSlice<'_, T>>
pub fn get_reducing_matrix_columns(
&self,
range_columns: Range<usize>,
i_reduced: usize
) -> Option<SubMatrixFullSlice<'_, T>>
pub fn get_slices(
&self,
x: Range<usize>,
y: Range<usize>,
z: Range<usize>
) -> Flatten<IntoIter<&[T]>>
pub fn get_slices_mut(
&mut self,
x: Range<usize>,
y: Range<usize>,
z: Range<usize>
) -> Flatten<IntoIter<&mut [T]>>
pub fn get_slices_mut_v01(
&mut self,
x: Range<usize>,
y: Range<usize>,
z: Range<usize>
) -> Flatten<IntoIter<&mut [T]>>
pub fn get_slices_mut_v02(
&mut self,
x: Range<usize>,
y: Range<usize>,
z: Range<usize>
) -> Flatten<IntoIter<&mut [T]>>
pub fn iter_slices_x(&self, y: usize, z: usize) -> Iter<'_, T>
pub fn par_iter_slices_x(&self, y: usize, z: usize) -> Iter<'_, T>
pub fn iter_mut_auxbas(
&mut self,
auxbas_range: Range<usize>
) -> Option<ChunksExactMut<'_, T>>
pub fn iter_auxbas(
&self,
auxbas_range: Range<usize>
) -> Option<ChunksExact<'_, T>>
pub fn par_iter_mut_auxbas(
&mut self,
auxbas_range: Range<usize>
) -> Option<ChunksExactMut<'_, T>>
pub fn par_iter_auxbas(
&self,
auxbas_range: Range<usize>
) -> Option<ChunksExact<'_, T>>
pub fn check_shape(&self, other: &RIFull<T>) -> bool
sourceimpl RIFull<f64>
impl RIFull<f64>
pub fn self_scaled_add(&mut self, bm: &RIFull<f64>, b: f64)
pub fn ao2mo(&self, eigenvector: &MatrixFull<f64>) -> Result<RIFull<f64>>
pub fn ao2mo_v01(&self, eigenvector: &MatrixFull<f64>) -> Result<RIFull<f64>>
pub fn ao2mo_v02(&self, eigenvector: &MatrixFull<f64>) -> Result<RIFull<f64>>
pub fn copy_from_ri(
&mut self,
range_x: Range<usize>,
range_y: Range<usize>,
range_z: Range<usize>,
from_ri: &RIFull<f64>,
f_range_x: Range<usize>,
f_range_y: Range<usize>,
f_range_z: Range<usize>
)
pub fn copy_from_matr<'a, T>(
&mut self,
range_x: Range<usize>,
range_y: Range<usize>,
i_z: usize,
copy_mod: i32,
from_matr: &T,
f_range_x: Range<usize>,
f_range_y: Range<usize>
)where
T: BasicMatrix<'a, f64>,
Trait Implementations
sourceimpl<T: PartialEq> PartialEq<RIFull<T>> for RIFull<T>
impl<T: PartialEq> PartialEq<RIFull<T>> for RIFull<T>
impl<T> StructuralPartialEq for RIFull<T>
Auto Trait Implementations
impl<T> RefUnwindSafe for RIFull<T>where
T: RefUnwindSafe,
impl<T> Send for RIFull<T>where
T: Send,
impl<T> Sync for RIFull<T>where
T: Sync,
impl<T> Unpin for RIFull<T>where
T: Unpin,
impl<T> UnwindSafe for RIFull<T>where
T: UnwindSafe,
Blanket Implementations
sourceimpl<T> BorrowMut<T> for Twhere
T: ?Sized,
impl<T> BorrowMut<T> for Twhere
T: ?Sized,
const: unstable · sourcefn borrow_mut(&mut self) -> &mut T
fn borrow_mut(&mut self) -> &mut T
Mutably borrows from an owned value. Read more
impl<T> Pointable for T
impl<T> Pointable for T
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 morefn 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.