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root/OpenMD/branches/development/validation/comp_md.py
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Comparing branches/development/validation/comp_md.py (file contents):
Revision 1660 by chuckv, Thu Nov 3 14:45:41 2011 UTC vs.
Revision 1661 by chuckv, Mon Nov 7 13:05:14 2011 UTC

# Line 30 | Line 30 | def setupDirectories():
30                  os.chdir("../build/bin/")
31                  dir_openmd = os.getcwd()
32                  os.chdir(dir_base)
33 +        elif(os.path.isfile("../bin/openmd")):
34 +                os.chdir("../bin/")
35 +                dir_openmd = os.getcwd()
36 +                os.chdir(dir_base)      
37          else:
38                  logger.error("OpenMD : %s", "openmd executable not found at the expected location. Script Will Quit...")
39                  sys.exit()
40 +        forcefld_path = os.path.abspath("../forceFields")
41 +        os.environ["FORCE_PARAM_PATH"] = forcefld_path
42          
37 –        
43   """
44   Function checks if the sample_file and validate_file (.md files) have the same
45   statusTime = interval time for the stats file.

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