From d44b7bb4ecb8e9080fdf5df68acbb7ecc2dcb97f Mon Sep 17 00:00:00 2001
From: Fawzi Mohamed <fawzi.mohamed@fhi-berlin.mpg.de>
Date: Thu, 19 May 2016 23:45:19 +0200
Subject: [PATCH] fix eigenvalues parsing
---
parser/parser-vasp/parser_vasprun.py | 10 +++-------
1 file changed, 3 insertions(+), 7 deletions(-)
diff --git a/parser/parser-vasp/parser_vasprun.py b/parser/parser-vasp/parser_vasprun.py
index 62605a7..3066918 100644
--- a/parser/parser-vasp/parser_vasprun.py
+++ b/parser/parser-vasp/parser_vasprun.py
@@ -284,13 +284,9 @@ class VasprunContext(object):
backend.closeNonOverlappingSection("section_k_band_segment")
backend.closeNonOverlappingSection("section_k_band")
else:
- backend.openNonOverlappingSection("section_eigenvalues_group")
- for isp in range(self.ispin):
- backend.openNonOverlappingSection("section_eigenvalues")
- backend.addArrayValues("eigenvalues_values", ev[isp])
- backend.closeNonOverlappingSection("section_eigenvalues")
- backend.closeNonOverlappingSection("section_eigenvalues_group")
-
+ backend.openNonOverlappingSection("section_eigenvalues")
+ backend.addArrayValues("eigenvalues_values", ev)
+ backend.closeNonOverlappingSection("section_eigenvalues")
else:
backend.pwarn("unexpected tag %s in the eigenvalues" % el.tag)
--
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