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1 import os 2 import sys 3 4 pMoldyn='/home/cs/pellegrini/nMOLDYN/nMOLDYN2.2.5/nMoldyn/bin/pMoldyn' 5 6 if len(sys.argv) > 1: 7 selectedTests = [int(v) for v in sys.argv[1:]] 8 else: 9 selectedTests = range(1,13) 10 11 for i in selectedTests: 12 print "Run test ", i 13 os.system(pMoldyn + ' --isf --input=DISF%s_Reference.inp' % i) 14 os.system('mv DISF_Fqt_test.nc Fqt%s_Reference.nc' % i) 15 os.system('mv DISF_Sqw_test.nc Sqw%s_Reference.nc' % i) 16
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