diff --git a/parser/parser-vasp/parser_vasprun.py b/parser/parser-vasp/parser_vasprun.py index da2458808987dd67b021c16e29cc04772a51bfc0..b856e52fc60e1f6d64216dd6400030a4f1d6a2fd 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']", ""))