Codebase list lammps / 842e614
Fix autotest. Anton Gladky 10 years ago
2 changed file(s) with 1 addition(s) and 78 deletion(s). Raw diff Collapse all Expand all
+1
-1
debian/tests/control less more
00 Tests: crack
1 Depends: lammps
1 Tests-Directory: examples/crack/
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-77
debian/tests/in.crack less more
0 # 2d LJ crack simulation
1
2 dimension 2
3 boundary s s p
4
5 atom_style atomic
6 neighbor 0.3 bin
7 neigh_modify delay 5
8
9 # create geometry
10
11 lattice hex 0.93
12 region box block 0 100 0 40 -0.25 0.25
13 create_box 5 box
14 create_atoms 1 box
15
16 mass 1 1.0
17 mass 2 1.0
18 mass 3 1.0
19 mass 4 1.0
20 mass 5 1.0
21
22 # LJ potentials
23
24 pair_style lj/cut 2.5
25 pair_coeff * * 1.0 1.0 2.5
26
27 # define groups
28
29 region 1 block INF INF INF 1.25 INF INF
30 group lower region 1
31 region 2 block INF INF 38.75 INF INF INF
32 group upper region 2
33 group boundary union lower upper
34 group mobile subtract all boundary
35
36 region leftupper block INF 20 20 INF INF INF
37 region leftlower block INF 20 INF 20 INF INF
38 group leftupper region leftupper
39 group leftlower region leftlower
40
41 set group leftupper type 2
42 set group leftlower type 3
43 set group lower type 4
44 set group upper type 5
45
46 # initial velocities
47
48 compute new mobile temp
49 velocity mobile create 0.01 887723 temp new
50 velocity upper set 0.0 0.3 0.0
51 velocity mobile ramp vy 0.0 0.3 y 1.25 38.75 sum yes
52
53 # fixes
54
55 fix 1 all nve
56 fix 2 boundary setforce NULL 0.0 0.0
57
58 # run
59
60 timestep 0.003
61 thermo 200
62 thermo_modify temp new
63
64 neigh_modify exclude type 2 3
65
66 #dump 1 all atom 500 dump.crack
67
68 #dump 2 all image 250 image.*.jpg type type &
69 # zoom 1.6 adiam 1.5
70 #dump_modify 2 pad 4
71
72 #dump 3 all movie 250 movie.mpg type type &
73 # zoom 1.6 adiam 1.5
74 #dump_modify 3 pad 4
75
76 run 5000