# print ielem, elemabbrev[ielem] # if len(sys.argv) < 2: print "Error : need two filename arguments : abinit output file and anaddb output file" raise ValueError else: # charfilename = sys.argv[1] # groupnum = int(sys.argv[1]) abifilename = sys.argv[1] anaddbfilename = sys.argv[2] # # get group and symmetry operations from abinit output file # abitokens=tokenize_file(abifilename) #print abitokens groupnum = get_abinit_group(abitokens) print groupnum abinit_sym_elem = get_abinit_syms(abitokens) # # get characters of different modes from anaddb output file. Get the information # only for the Gamma point. # anaddbtokens=tokenize_file_keep_comments(anaddbfilename) #print anaddbtokens abinit_chars,abinit_freq = get_abinit_chars(anaddbtokens)