From 5bc137113efbb7ef2bb34cf3e6da8d59eba66509 Mon Sep 17 00:00:00 2001
From: lopa <pardini@physik.hu-berlin.de>
Date: Wed, 3 Aug 2016 18:06:27 +0200
Subject: [PATCH] fixed a bug in simulation_reciprocal_cell
---
parser/parser-exciting/parser_exciting.py | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/parser/parser-exciting/parser_exciting.py b/parser/parser-exciting/parser_exciting.py
index 8a26abf..91a0949 100644
--- a/parser/parser-exciting/parser_exciting.py
+++ b/parser/parser-exciting/parser_exciting.py
@@ -27,7 +27,7 @@ class ExcitingParserContext(object):
recCell = [[recLatticeX[0],recLatticeY[0],recLatticeZ[0]],
[recLatticeX[1],recLatticeY[1],recLatticeZ[1]],
[recLatticeX[2],recLatticeY[2],recLatticeZ[2]]]
- backend.addValue("simulation_reciprocal_cell", recCell)
+ backend.addValue("x_exciting_simulation_reciprocal_cell", recCell)
def onClose_x_exciting_section_xc(self, backend, gIndex, section):
xcNr = section["x_exciting_xc_functional"][0]
--
GitLab