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ALIGNN-FF LAMMPS #13

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Merged
knc6 merged 1 commit into from
Jul 5, 2026
Merged

ALIGNN-FF LAMMPS #13

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2 changes: 1 addition & 1 deletion alignn/examples/lammps/nve_si_stability.in
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Original file line number Diff line number Diff line change
Expand Up @@ -40,6 +40,6 @@ unfix eq
reset_timestep 0
dump traj all custom 200 nve_si.lammpstrj id type x y z
fix nve all nve
run 5000
run 2000

write_data si_nve_final.data
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