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[求助]
vmd 已有1人參與
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lammps 輸出的lammpsstrj導進vmd中模型為什么會出現(xiàn)連續(xù)的移動?我是做拉伸模擬 發(fā)自小木蟲Android客戶端 |
木蟲 (正式寫手)
木蟲 (正式寫手)
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# LAMMPS cu units metal dimension 3 boundary s s s atom_style atomic neighbor 2.0 bin neigh_modify every 1 read_data data.cu pair_style hybrid eam/alloy airebo 3.0 1 1 lj/cut 10.0 pair_coeff * * eam/alloy Cu_zhou.eam.alloy NULL Cu pair_coeff * * airebo CH.airebo C NULL pair_coeff 1 2 lj/cut 0.019996 3.225 timestep 0.001 thermo 1000 group lower id <= 133 group force id >= 2539 group boundary union lower force group mobile subtract all lower force velocity mobile create 300 825577 dist gaussian velocity boundary set 0.0 0.0 0.0 units box fix 2 lower setforce 0.0 0.0 0.0 fix 3 force setforce 0.0 0.0 0.0 minimize 1.0e-8 1.0e-8 10000 10000 reset_timestep 0 compute 2 mobile temp/com compute 3 all pe/atom compute 4 all ke/atom compute 5 all coord/atom 3.0 compute s1 all stress/atom NULL compute strec1 mobile reduce sum c_s1[2] variable strecy equal c_strec1/(ly*lz*lx*10000) compute strec2 mobile reduce sum c_s1[1] variable strecx equal c_strec2/(ly*lz*lx*10000) thermo_style custom step c_2 pe ke vol v_strecx v_strecy lx ly lz dump 6 all custom 1000 lashen.lammpstrj id type x y z c_3 fix 10 all nvt temp 300 300 0.01 fix_modify 10 temp 2 label loop variable i loop 300 displace_atoms force move 0.0 0.05 0.0 units box displace_atoms lower move 0.0 -0.05 0.0 units box run 100000 next i jump in.cu loop |
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