!InputFile for Force Prediction Network sflparamsfile=rHCNO-5.2R_16-3.5A_a4-8.params ntwkStoreDir=networks/ atomEnergyFile=sae_linfit.dat nmax=10! Maximum number of iterations (0 = inf) tolr=1! Tolerance - early stopping emult=0.1!Multiplier by eta after tol switch eta=0.001! Eta -- Learning rate tcrit=1.0E-5! Eta termination criterion tmax=0! Maximum time (0 = inf) tbtchsz=2560 vbtchsz=2560 gpuid=0 ntwshr=0 nkde=2 energy=1 force=0 fmult=0.0 pbc=0 cmult =0.001 runtype=ANNP_CREATE_HDNN_AND_TRAIN!Create and train a HDN network network_setup { inputsize=384; atom_net H $ layer [ nodes=160; activation=9; type=0; !l2norm=1; !l2valu=0.0001; ] layer [ nodes=128; activation=9; type=0; !l2norm=1; !l2valu=0.00001; ] layer [ nodes=96; activation=9; type=0; !l2norm=1; !l2valu=0.000001; ] layer [ nodes=1; activation=6; type=0; ] $ atom_net C $ layer [ nodes=144; activation=9; type=0; !l2norm=1; !l2valu=0.0001; ] layer [ nodes=112; activation=9; type=0; !l2norm=1; !l2valu=0.00001; ] layer [ nodes=96; activation=9; type=0; !l2norm=1; !l2valu=0.000001; ] layer [ nodes=1; activation=6; type=0; ] $ atom_net N $ layer [ nodes=128; activation=9; type=0; !l2norm=1; !l2valu=0.0001; ] layer [ nodes=112; activation=9; type=0; !l2norm=1; !l2valu=0.00001; ] layer [ nodes=96; activation=9; type=0; !l2norm=1; !l2valu=0.000001; ] layer [ nodes=1; activation=6; type=0; ] $ atom_net O $ layer [ nodes=128; activation=9; type=0; !l2norm=1; !l2valu=0.0001; ] layer [ nodes=112; activation=9; type=0; !l2norm=1; !l2valu=0.00001; ] layer [ nodes=96; activation=9; type=0; !l2norm=1; !l2valu=0.000001; ] layer [ nodes=1; activation=6; type=0; ] $ } adptlrn=OFF ! Adaptive learning (OFF,RMSPROP) decrate=0.9 !Decay rate of RMSPROP moment=ADAM! Turn on momentum or nesterov momentum (OFF,CNSTTEMP,TMANNEAL,REGULAR,NESTEROV) mu=0.99 ! Mu factor for momentum