--- branches/development/validation/comp_md_files.py 2011/11/03 13:16:29 1659 +++ branches/development/validation/comp_md_files.py 2011/11/07 16:30:29 1662 @@ -1,3 +1,5 @@ +#!/usr/bin/env python + import comp_md #print comp_md.validate_md_time("/Users/snjoroge/Documents/openmd/development/samples/alkane/butane.md", "/Users/snjoroge/Documents/openmd/development/samples/alkane/butane.md") @@ -7,3 +9,4 @@ comp_md.cleanUp() comp_md.scanForMdFiles() comp_md.runMdFiles() comp_md.cleanUp() +#print comp_md.compareEor("../samples/argon/500.eor", "../samples/argon/500_v.eor") \ No newline at end of file