def pivot(self, elec=None, in_device=False, sort=False):
""" Return the pivoting indices for a specific electrode
Parameters
----------
elec : str or int
the corresponding electrode to return the self-energy from
in_device : bool, optional
If ``True`` the pivoting table will be translated to the device region orbitals
sort : bool, optional
Whether the returned indices are sorted. Mostly useful if the self-energies are returned
sorted as well.
Examples
--------
>>> se = tbtsencSileTBtrans(...)
>>> se.pivot()
[3, 4, 6, 5, 2]
>>> se.pivot(sort=True)
[2, 3, 4, 5, 6]
>>> se.pivot(0)
[2, 3]
>>> se.pivot(0, in_device=True)
[4, 0]
>>> se.pivot(0, in_device=True, sort=True)
[0, 1]
>>> se.pivot(0, sort=True)
[2, 3]
"""
if elec is None:
if in_device and sort:
return _a.arangei(self.no_d)
pvt = self._value('pivot') - 1
if in_device:
# Count number of elements that we need to subtract from each orbital
subn = _a.onesi(self.no)
subn[pvt] = 0
pvt -= _a.cumsumi(subn)[pvt]
elif sort:
pvt = np.sort(pvt)
return pvt
# Get electrode pivoting elements
se_pvt = self._value('pivot', tree=self._elec(elec)) - 1
if sort:
# Sort pivoting indices
# Since we know that pvt is also sorted, then
# the resulting in_device would also return sorted
# indices
se_pvt = np.sort(se_pvt)
if in_device:
pvt = self._value('pivot') - 1
if sort:
pvt = np.sort(pvt)
# translate to the device indices
se_pvt = indices(pvt, se_pvt, 0)
return se_pvt
def pivot(self, elec=None, in_device=False, sort=False):
""" Return the pivoting indices for a specific electrode (in the device region) or the device
Parameters
----------
elec : str or int
the corresponding electrode to return the pivoting indices from
in_device : bool, optional
If ``True`` the pivoting table will be translated to the device region orbitals.
If `sort` is also true, this would correspond to the orbitals directly translated
to the geometry ``self.geometry.sub(self.a_dev)``.
sort : bool, optional
Whether the returned indices are sorted. Mostly useful if you want to handle
the device in a non-pivoted order.
Examples
--------
>>> se = tbtncSileTBtrans(...)
>>> se.pivot()
[3, 4, 6, 5, 2]
>>> se.pivot(sort=True)
[2, 3, 4, 5, 6]
>>> se.pivot(0)
[2, 3]
>>> se.pivot(0, in_device=True)
[4, 0]
>>> se.pivot(0, in_device=True, sort=True)
[0, 1]
>>> se.pivot(0, sort=True)
[2, 3]
See Also
--------
pivot_down : for the pivot table for electrodes down-folding regions
"""
if elec is None:
if in_device and sort:
return _a.arangei(self.no_d)
pvt = self._value('pivot') - 1
if in_device:
# Count number of elements that we need to subtract from each orbital
subn = _a.onesi(self.no)
subn[pvt] = 0
pvt -= _a.cumsumi(subn)[pvt]
elif sort:
pvt = npsort(pvt)
return pvt
# Get electrode pivoting elements
se_pvt = self._value('pivot', tree=self._elec(elec)) - 1
if sort:
# Sort pivoting indices
# Since we know that pvt is also sorted, then
# the resulting in_device would also return sorted
# indices
se_pvt = npsort(se_pvt)
if in_device:
pvt = self._value('pivot') - 1
if sort:
pvt = npsort(pvt)
# translate to the device indices
se_pvt = indices(pvt, se_pvt, 0)
return se_pvt