예제 #1
0
    print ""
    print " New NN configuration:"
    print "   Num of layers = ",nlnew
    print "   Num of nodes in layers = ",
    for il in range(nlnew+1):
        print " {0:d}:{1:d}".format(il,nhlnew[il]),
    print ""
    
    #....new parameters
    npnew= 0
    for il in range(nlnew):
        npnew += nhlnew[il]*nhlnew[il+1]
    npnew += nhlnew[nlnew]
    print " New number of parameters =",npnew
    prmsnew= []
    for iprm in range(npnew):
        prmsnew.append([random.random(),-1.0,1.0])

    outcnst= incnst+'.new'
    outprms= inprms+'.new'
    NN_io.write_const(outcnst,nlnew,nsp,nhlnew,itypes,combs,consts)
    NN_io.write_params(outprms,npnew,rcut,rcut3,prmsnew)

    print ""
    print " Output files are:"
    print "   * {0:s}".format(outcnst)
    print "   * {0:s}".format(outprms)
    print " Please check these files.  Ciao ;) "