From 74219a7e1e32adc87e7218606f36ef8333a6963f Mon Sep 17 00:00:00 2001
From: Joseph Weston <v-josewe@microsoft.com>
Date: Tue, 14 Apr 2020 16:52:40 -0700
Subject: [PATCH] update 'SMatrix' to handle data from calculations with
selfenergy leads
---
kwant/solvers/common.py | 21 +++++++++++++++++++--
1 file changed, 19 insertions(+), 2 deletions(-)
diff --git a/kwant/solvers/common.py b/kwant/solvers/common.py
index 55518652..406de0e1 100644
--- a/kwant/solvers/common.py
+++ b/kwant/solvers/common.py
@@ -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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