Electron-boson coupling matrix containers.
ebcc.ham.elbos.RElectronBoson(cc, array=None, space=None)
Bases: BaseElectronBoson, BaseRHamiltonian
Restricted electron-boson coupling matrices.
Initialise the electron-boson coupling matrix.
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Source code in ebcc/ham/base.py
def __init__(
self,
cc: BaseEBCC,
array: Optional[Any] = None,
space: Optional[tuple[Any, ...]] = None,
) -> None:
"""Initialise the electron-boson coupling matrix.
Args:
cc: Coupled cluster object.
array: Electron-boson coupling matrix in the MO basis.
space: Space object for each index.
"""
Namespace.__init__(self)
# Parameters:
self.__dict__["cc"] = cc
self.__dict__["space"] = space if space is not None else (cc.space,) * 2
self.__dict__["array"] = array if array is not None else self._get_g()
ebcc.ham.elbos.RElectronBoson.__getitem__(key)
Just-in-time getter.
| Parameters: |
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| Returns: |
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Source code in ebcc/ham/elbos.py
def __getitem__(self, key: str) -> NDArray[T]:
"""Just-in-time getter.
Args:
key: Key to get.
Returns:
Electron-boson coupling matrix for the given spaces.
"""
if key not in self._members:
assert key[0] == "b"
i = self.space[0].mask(key[1])
j = self.space[1].mask(key[2])
self._members[key] = self.array[:, i][:, :, j].copy()
return self._members[key]
ebcc.ham.elbos.UElectronBoson(cc, array=None, space=None)
Bases: BaseElectronBoson, BaseUHamiltonian
Unrestricted electron-boson coupling matrices.
Initialise the electron-boson coupling matrix.
| Parameters: |
|
|---|
Source code in ebcc/ham/base.py
def __init__(
self,
cc: BaseEBCC,
array: Optional[Any] = None,
space: Optional[tuple[Any, ...]] = None,
) -> None:
"""Initialise the electron-boson coupling matrix.
Args:
cc: Coupled cluster object.
array: Electron-boson coupling matrix in the MO basis.
space: Space object for each index.
"""
Namespace.__init__(self)
# Parameters:
self.__dict__["cc"] = cc
self.__dict__["space"] = space if space is not None else (cc.space,) * 2
self.__dict__["array"] = array if array is not None else self._get_g()
ebcc.ham.elbos.UElectronBoson.__getitem__(key)
Just-in-time getter.
| Parameters: |
|
|---|
| Returns: |
|
|---|
Source code in ebcc/ham/elbos.py
def __getitem__(self, key: str) -> RElectronBoson:
"""Just-in-time getter.
Args:
key: Key to get.
Returns:
Electron-boson coupling matrix for the given spin.
"""
if key not in ("aa", "bb"):
raise KeyError(f"Invalid key: {key}")
if key not in self._members:
i = "ab".index(key[0])
self._members[key] = RElectronBoson(
self.cc,
array=self.array[i] if self.array.ndim == 4 else self.array,
space=(self.space[0][i], self.space[1][i]),
)
return self._members[key]
ebcc.ham.elbos.GElectronBoson(cc, array=None, space=None)
Bases: BaseElectronBoson, BaseGHamiltonian
Generalised electron-boson coupling matrices.
Initialise the electron-boson coupling matrix.
| Parameters: |
|
|---|
Source code in ebcc/ham/base.py
def __init__(
self,
cc: BaseEBCC,
array: Optional[Any] = None,
space: Optional[tuple[Any, ...]] = None,
) -> None:
"""Initialise the electron-boson coupling matrix.
Args:
cc: Coupled cluster object.
array: Electron-boson coupling matrix in the MO basis.
space: Space object for each index.
"""
Namespace.__init__(self)
# Parameters:
self.__dict__["cc"] = cc
self.__dict__["space"] = space if space is not None else (cc.space,) * 2
self.__dict__["array"] = array if array is not None else self._get_g()
ebcc.ham.elbos.GElectronBoson.__getitem__(key)
Just-in-time getter.
| Parameters: |
|
|---|
| Returns: |
|
|---|
Source code in ebcc/ham/elbos.py
def __getitem__(self, key: str) -> NDArray[T]:
"""Just-in-time getter.
Args:
key: Key to get.
Returns:
Electron-boson coupling matrix for the given spaces.
"""
if key not in self._members:
assert key[0] == "b"
i = self.space[0].mask(key[1])
j = self.space[1].mask(key[2])
self._members[key] = self.array[:, i][:, :, j].copy()
return self._members[key]