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LAMMPS (7 Jul 2009) include in.shear # 3d metal compression units metal boundary p p s atom_style atomic lattice fcc 4.08 Lattice spacing in x,y,z = 4.08 4.08 4.08 region up block -7 6.8 -8 7.8 0 80 region both block -28.56 28.56 -32.8 31.7 -10 400 units box create_box 1 both Created orthogonal box = (-28.56 -32.8 -10) to (28.56 31.7 400) 1 by 1 by 1 processor grid create_atoms 1 region up Created 72128 atoms mass * 196.97 # EAM potentials pair_style eam pair_coeff * * au_u3.eam neighbor 2 bin neigh_modify delay 5 region 1 block INF INF INF INF INF 4 units box region 2 block INF INF INF INF 316 INF units box group bottom region 1 896 atoms in group bottom group top region 2 2688 atoms in group top group mobile subtract all bottom top 68544 atoms in group mobile # equilibrate fix 1 bottom setforce 0.0 0.0 0.0 fix 2 top setforce 0.0 0.0 0.0 compute new3d mobile temp compute new1 all centro/atom compute new2 all stress/atom compute new3 all pressure new3d timestep 0.001 dump all all custom 500 dump.indent.* tag x y z fz type c_new1 c_new2[1] c_new2[2] c_new2[3] ERROR: Invalid keyword in dump custom command ÎÒ¸ÄÁ˺öà´Î¾ÍÊDz»ÐУ¬Ì«²»ÊìϤÁË£¬¸÷λѧ³¤Ö¸µãÎÒһϰɣ¬ÎÒûÐÅÐÄÁË£¬²»ÖªÈçºÎÈëÊÖ |
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ddll_slsl
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2Â¥2012-12-20 09:10:16
luxujie3
½ð³æ (ÖøÃûдÊÖ)
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3Â¥2012-12-21 13:55:05
yangwenbin99
ͳæ (СÓÐÃûÆø)
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- ×¢²á: 2012-10-13
- רҵ: »úеĦ²ÁѧÓë±íÃæ¼¼Êõ
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# 3d metal compression units metal boundary p p s atom_style atomic lattice fcc 4.08 region up block -7 6.8 -8 7.8 0 80 region both block -28.56 28.56 -32.8 31.7 -10 400 units box create_box 1 both create_atoms 1 region up mass * 196.97 # EAM potentials pair_style eam pair_coeff * * au_u3.eam neighbor 2 bin neigh_modify delay 5 region 1 block INF INF INF INF INF 4 units box region 2 block INF INF INF INF 316 INF units box group bottom region 1 group top region 2 group mobile subtract all bottom top # equilibrate fix 1 bottom setforce 0.0 0.0 0.0 fix 2 top setforce 0.0 0.0 0.0 compute new3d mobile temp compute new1 all centro/atom compute new2 all stress/atom compute new3 all pressure new3d timestep 0.001 dump 1 all custom 500 dump.indent.* tag type x y z fz c_new1 c_new2 [1] c_new2[2] c_new2[3] minimize 1.0e-8 1.0e-8 1000 10000 # equilibrate velocity mobile create 300 5812775 temp new3d fix 3 all nve fix 4 mobile temp/rescale 100 300 300 10 1.0 fix_modify 4 temp new3d thermo 100 thermo_style custom step etotal temp press pzz pxx pyy pxy pxz pyz thermo_modify temp new3d dump_modify output every 100 run 10000 # addforce unfix 1 unfix 2 fix 12 top setforce 0.0 0.0 0.0 fix 5 bottom setforce 0 0 3 run 3000 unfix 5 run 20000 ѧ³¤Äã¿´ÉÏÃæÊÇÎҵijÌÐò£¬all¸Ä³ÉÁËÊý×Ö£¬¿ÉÊÇÔËÐÐʱÓÖ³öÏÖÁËERROR: Invalid keyword in dump custom command ÎÒ¿´ÁËÊÖ²áÒ²²»»á£¬Çóѧ³¤°ïæ |
4Â¥2012-12-21 16:52:15














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