666de878ad
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10558 f3b2605a-c512-4ea7-a41b-209d697bcdaa
33 lines
1.1 KiB
Plaintext
33 lines
1.1 KiB
Plaintext
atom_style atomic
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lattice fcc 1.0
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region simRegion block -50 50 0 1 0 1
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boundary f p p
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create_box 1 simRegion
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mass 1 39.95 # need to keep this
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atom_modify sort 0 1
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lattice fcc 5.405 origin 0.25 0.25 0.25
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region atcRegion block -6.25 19.25 -3 3 -3 3
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fix AtC all atc shear Ar_visc_no_atoms.mat
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# ID part keywords nx ny nz region periodicity
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fix_modify AtC mesh create 12 1 1 atcRegion f p p
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# add nodesets
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# ID mesh create_nodeset tag xmin xmax ymin ymax zmin zmax
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fix_modify AtC mesh create_nodeset rbc 19.2 19.3 -INF INF -INF INF
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fix_modify AtC mesh create_nodeset lbc -6.3 -6.2 -INF INF -INF INF
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fix_modify AtC fix velocity x all 0.
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fix_modify AtC initial velocity y all 0.
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fix_modify AtC fix velocity z all 0.
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# turn on kinetostat
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reset_timestep 0
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fix_modify AtC reset_time
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fix_modify AtC fix velocity y rbc 0.1
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fix_modify AtC fix velocity y lbc 0.
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# ouput commands
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fix_modify AtC output shear_no_atomsFE 200 text binary
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# set-up non-equilibrium IC
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thermo 100
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run 5000
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