# | Line 1 | Line 1 | |
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1 | + | #!/usr/bin/env python |
2 | + | |
3 | import comp_md | |
4 | ||
5 | #print comp_md.validate_md_time("/Users/snjoroge/Documents/openmd/development/samples/alkane/butane.md", "/Users/snjoroge/Documents/openmd/development/samples/alkane/butane.md") | |
# | Line 7 | Line 9 | comp_md.cleanUp() | |
9 | comp_md.scanForMdFiles() | |
10 | comp_md.runMdFiles() | |
11 | comp_md.cleanUp() | |
12 | + | #print comp_md.compareEor("../samples/argon/500.eor", "../samples/argon/500_v.eor") |
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