import NN_io if __name__ == '__main__': usage='%prog [options] in.const.NN in.params.NN' parser= optparse.OptionParser(usage=usage) (options,args)= parser.parse_args() if len(args) != 2: print usage sys.exit() incnst= args[0] inprms= args[1] nl,nsp,nhl,itypes,combs,consts= NN_io.read_const(incnst) nprm,rcut,rcut3,prms= NN_io.read_params(inprms) #.....print current configuration print " Current NN configuration:" print " Num of layers = ",nl print " Num of nodes in layers = ", for il in range(nl+1): print " {0:d}:{1:d}".format(il,nhl[il]), print "" #.....read new configuration print "" print " Let's decide new NN configuration." print "" print " Please enter new number of hidden layers:"
if __name__ == '__main__': usage= '%prog [options] in.const.NN in.params.NN out.NN_analysis' parser= optparse.OptionParser(usage=usage) parser.add_option("-t","--threshold",dest="threshold",type="float", default=1e-8, help="Threshold value less than which are to be elminiated.") (options,args)= parser.parse_args() threshold= options.threshold incnst= args[0] inprms= args[1] innnanal= args[2] nl,nsp,nhl,itypes,combs,consts= NN_io.read_const(incnst) nprm,rcut,rcut3,prms= NN_io.read_params(inprms) nnanal= NN_io.read_NN_analysis(innnanal) if nhl[0] != len(nnanal): print('[Error] nhl[0] != len(nnanal)') print(' nhl[0],len(nnanal)=',nhl[0],len(nnanal)) exit() focnst= open(outcnst,'w') foprms= open(outprms,'w') #...count number of bases to be remained nsfnew= 0 for ihl0 in range(nhl[0]): if nnanal[ihl0][1] > threshold: nsfnew += 1