pub struct PySlaterDeterminantReal { /* private fields */ }
Expand description

Python-exposed structure to marshall real Slater determinant information between Rust and Python.

§Constructor arguments

  • spin_constraint - The spin constraint applied to the coefficients of the determinant. Python type: PySpinConstraint.
  • complex_symmetric - A boolean indicating if inner products involving this determinant are complex-symmetric. Python type: bool.
  • coefficients - The real coefficients for the molecular orbitals of this determinant. Python type: list[numpy.2darray[float]].
  • occupations - The occupation patterns for the molecular orbitals. Python type: list[numpy.1darray[float]].
  • threshold - The threshold for comparisons. Python type: float.
  • mo_energies - The optional real molecular orbital energies. Python type: Optional[list[numpy.1darray[float]]].
  • energy - The optional real determinantal energy. Python type: Optional[float].

Trait Implementations§

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impl Clone for PySlaterDeterminantReal

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fn clone(&self) -> PySlaterDeterminantReal

Returns a copy of the value. Read more
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fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source. Read more
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impl HasPyGilRef for PySlaterDeterminantReal

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type AsRefTarget = PyCell<PySlaterDeterminantReal>

Utility type to make Py::as_ref work.
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impl IntoPy<Py<PyAny>> for PySlaterDeterminantReal

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fn into_py(self, py: Python<'_>) -> PyObject

Performs the conversion.
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impl PyClass for PySlaterDeterminantReal

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type Frozen = False

Whether the pyclass is frozen. Read more
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impl PyClassImpl for PySlaterDeterminantReal

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const IS_BASETYPE: bool = false

#[pyclass(subclass)]
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const IS_SUBCLASS: bool = false

#[pyclass(extends=…)]
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const IS_MAPPING: bool = false

#[pyclass(mapping)]
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const IS_SEQUENCE: bool = false

#[pyclass(sequence)]
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type BaseType = PyAny

Base class
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type ThreadChecker = SendablePyClass<PySlaterDeterminantReal>

This handles following two situations: Read more
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type PyClassMutability = <<PyAny as PyClassBaseType>::PyClassMutability as PyClassMutability>::MutableChild

Immutable or mutable
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type Dict = PyClassDummySlot

Specify this class has #[pyclass(dict)] or not.
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type WeakRef = PyClassDummySlot

Specify this class has #[pyclass(weakref)] or not.
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type BaseNativeType = PyAny

The closest native ancestor. This is PyAny by default, and when you declare #[pyclass(extends=PyDict)], it’s PyDict.
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fn items_iter() -> PyClassItemsIter

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fn doc(py: Python<'_>) -> PyResult<&'static CStr>

Rendered class doc
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fn lazy_type_object() -> &'static LazyTypeObject<Self>

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fn dict_offset() -> Option<isize>

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fn weaklist_offset() -> Option<isize>

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impl PyClassNewTextSignature<PySlaterDeterminantReal> for PyClassImplCollector<PySlaterDeterminantReal>

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fn new_text_signature(self) -> Option<&'static str>

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impl<'a, 'py> PyFunctionArgument<'a, 'py> for &'a PySlaterDeterminantReal

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type Holder = Option<PyRef<'py, PySlaterDeterminantReal>>

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fn extract( obj: &'a Bound<'py, PyAny>, holder: &'a mut Self::Holder, ) -> PyResult<Self>

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impl<'a, 'py> PyFunctionArgument<'a, 'py> for &'a mut PySlaterDeterminantReal

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type Holder = Option<PyRefMut<'py, PySlaterDeterminantReal>>

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fn extract( obj: &'a Bound<'py, PyAny>, holder: &'a mut Self::Holder, ) -> PyResult<Self>

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impl PyMethods<PySlaterDeterminantReal> for PyClassImplCollector<PySlaterDeterminantReal>

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fn py_methods(self) -> &'static PyClassItems

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impl PyTypeInfo for PySlaterDeterminantReal

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const NAME: &'static str = "PySlaterDeterminantReal"

Class name.
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const MODULE: Option<&'static str> = ::core::option::Option::None

Module name, if any.
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fn type_object_raw(py: Python<'_>) -> *mut PyTypeObject

Returns the PyTypeObject instance for this type.
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fn type_object(py: Python<'_>) -> &PyType

👎Deprecated since 0.21.0: PyTypeInfo::type_object will be replaced by PyTypeInfo::type_object_bound in a future PyO3 version
Returns the safe abstraction over the type object.
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fn type_object_bound(py: Python<'_>) -> Bound<'_, PyType>

Returns the safe abstraction over the type object.
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fn is_type_of(object: &PyAny) -> bool

👎Deprecated since 0.21.0: PyTypeInfo::is_type_of will be replaced by PyTypeInfo::is_type_of_bound in a future PyO3 version
Checks if object is an instance of this type or a subclass of this type.
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fn is_type_of_bound(object: &Bound<'_, PyAny>) -> bool

Checks if object is an instance of this type or a subclass of this type.
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fn is_exact_type_of(object: &PyAny) -> bool

👎Deprecated since 0.21.0: PyTypeInfo::is_exact_type_of will be replaced by PyTypeInfo::is_exact_type_of_bound in a future PyO3 version
Checks if object is an instance of this type.
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fn is_exact_type_of_bound(object: &Bound<'_, PyAny>) -> bool

Checks if object is an instance of this type.
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impl DerefToPyAny for PySlaterDeterminantReal

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default unsafe fn clone_to_uninit(&self, dst: *mut T)

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