From aa7b064d77452772e1cc5041dfc308d3250587e5 Mon Sep 17 00:00:00 2001
From: Christoph Groth <christoph.groth@cea.fr>
Date: Fri, 17 Jan 2014 15:42:28 +0100
Subject: [PATCH] allow attaching a lead to a builder that contains sites that
are not commensurate with the leads's symmetry
---
kwant/builder.py | 17 ++++++++++++-----
1 file changed, 12 insertions(+), 5 deletions(-)
diff --git a/kwant/builder.py b/kwant/builder.py
index 39689bff..0972b8d2 100644
--- a/kwant/builder.py
+++ b/kwant/builder.py
@@ -998,17 +998,24 @@ class Builder(object):
# Check if site families of the lead are present in the system (catches
# a common and a hard to find bug).
families = set(site.family for site in H)
+ lead_only_families = families.copy()
for site in self.H:
- families.discard(site.family)
- if not families:
+ lead_only_families.discard(site.family)
+ if not lead_only_families:
break
else:
msg = 'Sites with site families {0} do not appear in the system, ' \
'hence the system does not interrupt the lead.'
- raise ValueError(msg.format(tuple(families)))
+ raise ValueError(msg.format(tuple(lead_only_families)))
+
+ all_doms = set()
+ for site in self.H:
+ if site.family not in families:
+ continue
+ ge = sym.which(site)
+ if sym.act(-ge, site) in H:
+ all_doms.add(ge[0])
- all_doms = list(sym.which(site)[0]
- for site in self.H if sym.to_fd(site) in H)
if origin is not None:
orig_dom = sym.which(origin)[0]
all_doms = [dom for dom in all_doms if dom <= orig_dom]
--
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