Commit 74219a7e authored by Joseph Weston's avatar Joseph Weston
Browse files

update 'SMatrix' to handle data from calculations with selfenergy leads

parent 933f28be
......@@ -15,7 +15,7 @@ from numbers import Integral
import numpy as np
import scipy.sparse as sp
from .._common import ensure_isinstance, deprecate_args
from .. import system
from .. import system, physics
from functools import reduce
# Until v0.13.0, scipy.sparse did not support making block matrices out of
......@@ -802,6 +802,8 @@ class SMatrix(BlockResult):
matrix.
lead_info : list of data
a list containing `kwant.physics.PropagatingModes` for each lead.
If a lead is a selfenergy lead, then the corresponding entry
in lead_info is a selfenergy.
out_leads, in_leads : sequence of integers
indices of the leads where current is extracted (out) or injected
(in). Only those are listed for which SMatrix contains the
......@@ -810,7 +812,22 @@ class SMatrix(BlockResult):
def __init__(self, data, lead_info, out_leads, in_leads,
current_conserving=False):
sizes = [len(i.momenta) // 2 for i in lead_info]
# An equivalent condition to this is checked in 'Solver.smatrix',
# but we add it here again as a sanity check. If 'lead_info' is not
# a 'PropagatingModes' that means that the corresponding lead is a
# selfenergy lead. Scattering matrix elements to/from a selfenergy lead
# are not defined.
assert not any(
not isinstance(info, physics.PropagatingModes)
and leadnum in (out_leads + in_leads)
for leadnum, info in enumerate(lead_info)
)
# 'getattr' in order to handle self-energy leads, for which
# 'info' is just a matrix (so no 'momenta').
sizes = [
len(getattr(info, "momenta", [])) // 2 for info in lead_info
]
super().__init__(data, lead_info, out_leads, in_leads,
sizes, current_conserving)
# in_offsets marks beginnings and ends of blocks in the scattering
......
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