Dinamica molecular

Introduction to LAMMPS

In this video I give a short introduction to the LAMMPS simulation package. I will explain how LAMMPS can help you to run your molecular dynamics simulations faster and easier. I will also run a simple simulation with LAMMPS. The example LAMMPS input file can be found here:

https://i.imgur.com/s0trnOp.png
# Initialization
units		lj
dimension	2
atom_style	atomic
# Atom definition
lattice		sq	0.1
region		simbox	block 0 20 0 20 -0.1 0.1
create_box	1 simbox
create_atoms	1 box
# Settings
pair_style	lj/cut 2.5
pair_coeff	* * 1 1
mass		* 1.0
velocity	all create 1.0 23494
# Run
fix	1 all nve
dump	1 all custom 10 lammps.out id xs ys zs
run 1000

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