cca0a504ae
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4132 f3b2605a-c512-4ea7-a41b-209d697bcdaa
25 lines
390 B
Plaintext
25 lines
390 B
Plaintext
# REAX potential for RDX system
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# this run is equivalent to GRASP testreax
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units real
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atom_style charge
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read_data data.rdx
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pair_style reax 10.0 1.0e-6
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pair_coeff * * ffield.reax 1 2 3 4
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neighbor 2.5 bin
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neigh_modify every 10 delay 0 check no
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fix 1 all nve
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thermo 10
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thermo_modify format float %15.14g
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timestep 1.0
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dump 1 all custom 10 dump.reax.rdx id type q xs ys zs
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run 100
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