666de878ad
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10558 f3b2605a-c512-4ea7-a41b-209d697bcdaa
33 lines
869 B
Plaintext
33 lines
869 B
Plaintext
echo both
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units real
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atom_style atomic
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# correct mass density = 1.0120
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# NOTE the mesh is not currently periodic, so the density estimate is off by a factor of 2
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variable L equal 6
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variable w equal 2
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lattice fcc 5.405 origin 0.25 0.25 0.25
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region BOX block -$L $L -$L $L -$w $w
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boundary f f p
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create_box 1 BOX
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create_atoms 1 region BOX
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mass 1 39.95
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pair_style lj/cut 13.5
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pair_coeff 1 1 .238 3.405 13.5
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group internal region BOX
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fix AtC internal atc hardy
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fix_modify AtC kernel quartic_cylinder 5.0
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fix_modify AtC mesh read gaussianIC2d_hex.mesh
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fix_modify AtC fields add mass_density
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fix_modify AtC output kernel2d_hexFE 1 full_text binary
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#dump CONFIG all custom 1 kernel2d_hexMD.dmp id type x y z
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thermo_style custom step cpu temp
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timestep 0.0
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thermo 1
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run 2
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