From 2ba6cd0d038971970ff2f2b58553daf8ce4b9a6c Mon Sep 17 00:00:00 2001 From: Fawzi Mohamed <fawzi.mohamed@fhi-berlin.mpg.de> Date: Thu, 20 Oct 2016 19:47:07 +0200 Subject: [PATCH] fixing program name to be always VASP --- parser/parser-vasp/parser_vasprun.py | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/parser/parser-vasp/parser_vasprun.py b/parser/parser-vasp/parser_vasprun.py index da24588..b856e52 100644 --- a/parser/parser-vasp/parser_vasprun.py +++ b/parser/parser-vasp/parser_vasprun.py @@ -93,8 +93,10 @@ class VasprunContext(object): def onEnd_generator(self, parser, event, element, pathStr): backend = parser.backend program_name = g(element, "i/[@name='program']") - if program_name: - backend.addValue("program_name", program_name) + if program_name.strip().upper() == "VASP": + backend.addValue("program_name", "VASP") + else: + raise Exception("unexpected program name: %s" % program_name) version = (g(element, "i/[@name='version']", "") + " " + g(element, "i/[@name='subversion']", "") + " " + g(element, "i/[@name='platform']", "")) -- GitLab