From 8ec25541c79984ee8b74080cdfd77ee21bd7bf10 Mon Sep 17 00:00:00 2001
From: Fawzi Mohamed <fawzi.mohamed@fhi-berlin.mpg.de>
Date: Mon, 24 Oct 2016 00:23:05 +0200
Subject: [PATCH] hack to fix eigenvalues (assuming only one spin channel)
---
parser/parser-exciting/parser_exciting.py | 6 +++---
1 file changed, 3 insertions(+), 3 deletions(-)
diff --git a/parser/parser-exciting/parser_exciting.py b/parser/parser-exciting/parser_exciting.py
index dec5ed6..33eeedd 100644
--- a/parser/parser-exciting/parser_exciting.py
+++ b/parser/parser-exciting/parser_exciting.py
@@ -102,9 +102,9 @@ class ExcitingParserContext(object):
# eigvalVal[2][-1].append(fromH(float(e)))
# eigvalOcc[0][-1].append(int(n))
# eigvalOcc[1][-1].append(float(occ))
- backend.addArrayValues("eigenvalues_kpoints", np.asarray(eigvalKpoint))
- backend.addArrayValues("eigenvalues_values", np.asarray(eigvalVal))
- backend.addArrayValues("eigenvalues_occupation", np.asarray(eigvalOcc))
+ backend.addArrayValues("eigenvalues_kpoints", np.asarray([eigvalKpoint]))
+ backend.addArrayValues("eigenvalues_values", np.asarray([eigvalVal]))
+ backend.addArrayValues("eigenvalues_occupation", np.asarray([eigvalOcc]))
# print ("values= ", eigvalVal)
# print ("kpoints= ", eigvalKpoint)
--
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