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lammps ±¨´í ERROR: Unknown command: (../input.cpp:204)
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ÏÂÃæÊÇ input script£º units lj boundary p p p atom_style sphere variable x index 5.4305 5.4306 5.4307 5.4308 5.4309 5.4310 5.4311 5.4312 lattice fcc 3.615 region box block 0 3 0 3 0 3 creat_box 1 box creat_atoms 1 box pair_style lj/cut 8.0 pair_coeff * * 1.0 1.0 2.5 neighbor 0.5 bin neigh_modify every 1 delay 5 check yes #run 0 #variable E equal pe #variable N equal atoms #print "the number of atoms & system energy now are $N $E" variable P equal pe/108 variable r equal 108/($x * 3)^3 timestep 0.005 thermo 5 min_style sd minimize 1.0e-12 1.0e-12 1000 1000 compute 3 all pe/atom compute 4 all ke/atom compute 5 all coord/atom 3.0 dump 1 all custom 1 dump.atom id xs ys zs c_3 c_4 c_5 print "@@@@ (lattice parameter, rho, energy per atom): $x $r $P" clear next x jump in.lj ÏÂÃæÊDZ¨´í£º LAMMPS (12 Apr 2013) ERROR: Unknown command: (../input.cpp:204) Çë½Ì´óÉñ£¬Õâ¸öÔõô½â¾ö£¿ |
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