Ansible で lammps 用 ラズパイ mpi クラスタ環境を構築

Benchmarking results for HPC Midlands+.

A LAMMPS log reader

The repository contains the work done on computation of Couette flow

Molecular Dynamics Simulation for Polymer knots in LAMMPS

LAMMPS input script for uniaxial tensile simulation of High Entropy Alloy

Cohesive energy calculated with pyiron and lammps for the majority of the interatomic potentials available at NIST.

Generate good-looking images and movies with VMD

Scripts to mesh rigid nanoparticles for Z1+ algorithm. The scripts here can set up bonds between pairs of constituent atoms.

Configuration-driven Python wrapper around LAMMPS for more convenient batch submission of simulation jobs

Lammps を手軽に使いたいので、Apptainer でコンテナ化

Sublime Text 3 Syntax Highlighting for LAMMPS Input Files

Simulações do projeto de iniciação científica em simulações termodinâmicas em estruturas nanomoleculares

This repository contains a bunch of python scripts which are used in pre- and post processing of LAMMPS simulations.

Stochastic Global Multi-Variable Multi-Objective Optimization

Third semester educational practice. A program for generating the positions of atoms of a crystallographic structure. Saint-Petersburg University, 2022

Калькулятор плотностей для расчетов МД моделирования

Introductory LAMMPS project based on the tutorials authored by Simon Gravelle. The tutorial topics include the simple simulation of a Lennard-Jones fluid, deformation of a carbon nanotube, and the solvation of a simple PEG molecule in water.

How LAMMPS works.

Determine the topology violation in coarse-grained polymer simulation.