Commit 744da03f authored by Lauri Himanen's avatar Lauri Himanen

Changed CPMD to NWChem in

parent 1c0d3c3d
......@@ -6,12 +6,12 @@ from __future__ import absolute_import
import sys
import setup_paths
from nomadcore.parser_backend import JsonParseEventsWriterBackend
from cpmdparser import CPMDParser
from nwchemparser import NWChemParser
if __name__ == "__main__":
# Initialise the parser with the main filename and a JSON backend
main_file = sys.argv[1]
parser = CPMDParser(main_file, backend=JsonParseEventsWriterBackend)
parser = NWChemParser(main_file, backend=JsonParseEventsWriterBackend)
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