From 466e53fa76f9eb10b5262d590032300c595aa2fd Mon Sep 17 00:00:00 2001 From: "zzysz@qq.com" Date: Thu, 28 Aug 2025 19:22:05 +0800 Subject: [PATCH] lammps --- lammps/in.min | 44 ++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 44 insertions(+) create mode 100644 lammps/in.min diff --git a/lammps/in.min b/lammps/in.min new file mode 100644 index 0000000..2f85379 --- /dev/null +++ b/lammps/in.min @@ -0,0 +1,44 @@ +# 2d Lennard-Jones melt and subsequent energy minimization + +units lj +dimension 2 +atom_style atomic + +lattice sq2 0.8442 +region box block 0 20 0 20 -0.1 0.1 +create_box 1 box +create_atoms 1 box +mass 1 1.0 + +velocity all create 5.0 87287 loop geom + +pair_style lj/cut 2.5 +pair_coeff 1 1 1.0 1.0 2.5 +pair_modify shift yes + +neighbor 0.3 bin +neigh_modify delay 0 every 1 check yes + +fix 1 all nve +fix 2 all enforce2d + +dump 1 all atom 100 dump.min + +#dump 2 all image 50 image.*.jpg type type & +# zoom 1.6 adiam 1.5 +#dump_modify 2 pad 4 + +#dump 3 all movie 50 movie.mpg type type & +# zoom 1.6 adiam 1.5 +#dump_modify 3 pad 4 + +thermo 100 + +run 1000 + +neigh_modify delay 0 every 1 check yes + +#dump_modify 1 every 25 + +thermo 50 +minimize 1.0e-6 0.001 1000 10000