forked from lijiext/lammps
46 lines
1.6 KiB
Plaintext
46 lines
1.6 KiB
Plaintext
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atom_style meso
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dimension 2
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boundary s p p
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region box block -100 150 -4 4 -0.1 0.1 units box
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create_box 2 box
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lattice sq 1.0
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create_atoms 1 box
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region left block EDGE 0.0 EDGE EDGE EDGE EDGE units box
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region right block 1 EDGE EDGE EDGE EDGE EDGE units box
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set region right type 2
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mass 1 1
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mass 2 0.25
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set type 1 meso_e 2.5 # internal energy corresponding to p=1, rho=1
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set type 2 meso_e 0.625 # internal energy corresponding to p=0.25, rho=0.25
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set type 1 meso_rho 1.0
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set type 2 meso_rho 0.25
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pair_style hybrid/overlay sph/rhosum 1 sph/idealgas
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pair_coeff * * sph/rhosum 4.0
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pair_coeff * * sph/idealgas 0.75 4.0
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compute rhoatom all meso_rho/atom
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compute ieatom all meso_e/atom
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compute emeso all reduce sum c_ieatom # total internal energy
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compute ke all ke
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variable etot equal c_ke+c_emeso # total energy
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# dump positions and local density
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dump dump_id all custom 100 dump.2d id type x z y c_rhoatom
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dump_modify dump_id first yes
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neighbor 0.5 bin
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neigh_modify every 5 delay 0 check yes
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thermo 10
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thermo_style custom step c_ke c_emeso v_etot
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thermo_modify norm no
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fix integration_fix all meso
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fix 1 all setforce NULL 0.0 0.0 # treat as a quasi 1d problem
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timestep 0.05
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log log.2d
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run 400 # run for t=20
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