pub struct int2e_spgsp1;Trait Implementations§
Source§impl Default for int2e_spgsp1
impl Default for int2e_spgsp1
Source§impl Integrator for int2e_spgsp1
impl Integrator for int2e_spgsp1
Source§unsafe fn optimizer(
&self,
opt: *mut *mut c_void,
atm: *const c_int,
natm: c_int,
bas: *const c_int,
nbas: c_int,
env: *const f64,
)
unsafe fn optimizer( &self, opt: *mut *mut c_void, atm: *const c_int, natm: c_int, bas: *const c_int, nbas: c_int, env: *const f64, )
Safety Read more
Source§unsafe fn integral_sph(
&self,
out: *mut f64,
dims: *const c_int,
shls: *const c_int,
atm: *const c_int,
natm: c_int,
bas: *const c_int,
nbas: c_int,
env: *const f64,
opt: *const c_void,
cache: *mut f64,
) -> c_int
unsafe fn integral_sph( &self, out: *mut f64, dims: *const c_int, shls: *const c_int, atm: *const c_int, natm: c_int, bas: *const c_int, nbas: c_int, env: *const f64, opt: *const c_void, cache: *mut f64, ) -> c_int
Safety Read more
Source§unsafe fn integral_cart(
&self,
out: *mut f64,
dims: *const c_int,
shls: *const c_int,
atm: *const c_int,
natm: c_int,
bas: *const c_int,
nbas: c_int,
env: *const f64,
opt: *const c_void,
cache: *mut f64,
) -> c_int
unsafe fn integral_cart( &self, out: *mut f64, dims: *const c_int, shls: *const c_int, atm: *const c_int, natm: c_int, bas: *const c_int, nbas: c_int, env: *const f64, opt: *const c_void, cache: *mut f64, ) -> c_int
Safety Read more
Source§unsafe fn integral_spinor(
&self,
out: *mut c_void,
dims: *const c_int,
shls: *const c_int,
atm: *const c_int,
natm: c_int,
bas: *const c_int,
nbas: c_int,
env: *const f64,
opt: *const c_void,
cache: *mut f64,
) -> c_int
unsafe fn integral_spinor( &self, out: *mut c_void, dims: *const c_int, shls: *const c_int, atm: *const c_int, natm: c_int, bas: *const c_int, nbas: c_int, env: *const f64, opt: *const c_void, cache: *mut f64, ) -> c_int
Safety Read more
fn is_sph_available(&self) -> bool
fn is_cart_available(&self) -> bool
fn is_spinor_available(&self) -> bool
fn n_comp(&self) -> usize
fn n_spinor_comp(&self) -> usize
fn n_center(&self) -> usize
fn ng(&self) -> Vec<i32>
fn integrator_category(&self) -> &'static str
fn name(&self) -> &'static str
fn kind(&self) -> CIntKind
fn as_any(&self) -> &dyn Any
Auto Trait Implementations§
impl Freeze for int2e_spgsp1
impl RefUnwindSafe for int2e_spgsp1
impl Send for int2e_spgsp1
impl Sync for int2e_spgsp1
impl Unpin for int2e_spgsp1
impl UnsafeUnpin for int2e_spgsp1
impl UnwindSafe for int2e_spgsp1
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> 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 more