From 9fd687a00ca7eefcb6e293039830dcf0433c2e44 Mon Sep 17 00:00:00 2001
From: Fawzi Mohamed <fawzi.mohamed@fhi-berlin.mpg.de>
Date: Wed, 11 May 2016 16:02:03 +0200
Subject: [PATCH] actually output the parsed cell...
---
parser/parser-vasp/parser_vasprun.py | 1 +
1 file changed, 1 insertion(+)
diff --git a/parser/parser-vasp/parser_vasprun.py b/parser/parser-vasp/parser_vasprun.py
index 2bb2422..e110297 100644
--- a/parser/parser-vasp/parser_vasprun.py
+++ b/parser/parser-vasp/parser_vasprun.py
@@ -200,6 +200,7 @@ class VasprunContext(object):
if name == "basis":
conv = convert_unit_function("angstrom","m")
cell = getVector(cellEl, lambda x: conv(float(x)))
+ backend.addArrayValues("simulation_cell", np.asarray(cell))
elif name =="rec_basis":
pass
else:
--
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