LAMMPS: Difference between revisions

LAMMPS (view source)

580 bytes added , 6 years ago

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 <tabs>
+<tab name="INPUT">
+{{File
+  |name=lammps.in
+  |lang="txt"
+  |contents=
+# 3d Lennard-Jones melt
+units           lj
+atom_style      atomic
+lattice         fcc 0.8442
+region          box block 0 15 0 15 0 15
+create_box      1 box
+create_atoms    1 box
+mass            1 1.0
+velocity        all create 1.44 87287 loop geom
+pair_style      lj/cut 2.5
+pair_coeff      1 1 1.0 1.0 2.5
+neighbor        0.3 bin
+neigh_modify    delay 5 every 1
+fix             1 all nve
+thermo          5
+run             10000
+write_data     config.end_sim
+# End of the Input file.
+}}
+</tab>
 <tab name="Script">
 {{File