From 5d8423a30e5dc00c7ac370bd7cfc8814636d28da Mon Sep 17 00:00:00 2001 From: "Oleg E. Peil" Date: Fri, 20 Feb 2015 20:00:50 +0100 Subject: [PATCH] Added preliminary 'main.py' --- python/converters/vasp/python/main.py | 21 +++++++++++++++++++++ 1 file changed, 21 insertions(+) create mode 100644 python/converters/vasp/python/main.py diff --git a/python/converters/vasp/python/main.py b/python/converters/vasp/python/main.py new file mode 100644 index 00000000..dea7d833 --- /dev/null +++ b/python/converters/vasp/python/main.py @@ -0,0 +1,21 @@ + +import sys +import vaspio +from inpconf import ConfigParameters + +if __name__ == '__main__': + narg = len(sys.argv) + if narg < 2: + raise SystemExit(" Usage: python main.py []") + else: + filename = sys.argv[1] + if narg > 2: + vasp_dir = sys.argv[2] + if vasp_dir[-1] != '/': + vasp_dir += '/' + else: + vasp_dir = './' + + + pars = ConfigParameters(filename) + vasp_data = vaspio.VaspData(vasp_dir)