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Added 2d example
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14458 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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# Test volume definitions for 2d and finite systems
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variable rcut equal 10.0
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variable rskin equal 2.0
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variable rcomm equal 20.0
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variable len equal 4.0
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variable lenz equal 10.0
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dimension 2
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units metal
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boundary p p p
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#lattice sq 1.0 origin 0.5 0.5 0.0
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lattice hex 1.0 origin 0.5 0.5 0.0
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atom_style atomic
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region box block 0 ${len} 0 ${len} 0.0 ${lenz}
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region atoms block 0 ${len} 0 ${len} 0.0 0.0
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create_box 1 box
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create_atoms 1 region atoms
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mass 1 1.0
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pair_style lj/cut ${rcut}
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pair_coeff 1 1 0.0 1.0
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neighbor ${rskin} nsq
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neigh_modify delay 10
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# set the minimum communication cut-off
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comm_modify cutoff ${rcomm}
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thermo 1
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#
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# TEST 1: Volume check for 2d bulk system
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#
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compute v1 all voronoi/atom
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dump d1 all custom 1 dump.voro id type x y z c_v1[1] c_v1[2]
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compute volvor all reduce sum c_v1[1]
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variable volsys equal lz*lx*ly
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variable err equal c_volvor-v_volsys
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thermo_style custom c_volvor v_volsys vol v_err
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run 0
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#
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# TEST 2: Volume check for 2d finite system
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# add margins in x and y directions
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#
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change_box all boundary f f p
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variable rless equal ${rcomm}<(${rcut}+${rskin})
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variable rmargin equal 0.01+${rcomm}*!${rless}+(${rcut}+${rskin})*${rless}
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variable volsys equal (lx+2*${rmargin})*(ly+2*${rmargin})*lz
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run 0
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