lammps-input 开源项目推荐（22 个）

simongravelle /lammps-input-files

LAMMPS 输入和数据文件

lammpstutorials /lammpstutorials-inputs

LAMMPS input from lammpstutorials.github.io

Ramprasad-Group /PSP

PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.

Shuvam-Banerji-Seal /lammps-web-gui

Run LAMMPS molecular dynamics in your browser: visual input-script builder, MD notebook with an engine checked against native LAMMPS, CMake compiler helper, and a GPU 3D viewer for LAMMPS data/dump, XYZ, PDB and CIF. No install, nothing uploaded.

simongravelle /atb2lammps

Convert files from the ATB repository to LAMMPS format

yzhang951 /MD-utility

Examples and utilities for molecular dynamics simulations

stefanbringuier /lammps-examples-potentials-viewer

A simple, curated web interface for browsing and viewing LAMMPS example files and potential files from the repo.

lammpstutorials /.github

LAMMPS tutorials for both beginners and advanced users

polyu-kyfung /lammps-nanocutting-SiC_template_tool-xLr0c10_EA.tersoff_lmp20140808

A LAMMPS template for the molecular dynamics simulation of nanometric cutting of 3C-SiC using a diamond tool with a zero rake angle and a clearance angle of 10°

unknownman24 /Phase-Stability-Tool-for-High-Entropy-Alloys

This tool has been created to understand the single phase stability of high entropy alloys, tool can also be used to create high entropy alloy model for molecular dynamics simulation in LAMMPS. I will try to develop this code with new features in future. The code language is created with Python 3 language.

thadanipaarth /Molecular-Dynamics-Simulation-LAMMPS

Performed molecular dynamics simulation of Argon particles in FCC arrangement.

leojbeck /lammps_pre_post_processing

Pre and post processing scripts for running lammps simulations through slurm. Written primarily in Python and Bash

Compizfox /VSPB

LAMMPS input files for vapour-solvated polymer brush simulations

nullptrabhi /IIT-HYD-LAMMPS-WORK

Molecular dynamics simulations of GaN nanobelts and BaTiO3 for piezoelectric effects and analysis using LAMMPS software at IIT Hyd

polyu-kyfung /lammps-nanocutting-SiC_results_speed-1.0_EA.tersoff_lmp20140312

该项目在 GitHub 上没有填写描述

polyu-kyfung /lammps-nanocutting-SiC_template_tool-xLr15c10_EA.tersoff_lmp20140808

A LAMMPS template for the molecular dynamics simulation of nanometric cutting of 3C-SiC using a diamond tool with a negative rake angle of 15° and a clearance angle of 10°

zarifrazin /ncl_hybrid_wettability

Thermal properties of liquid entrapped between hybrid wettability surface, Computational Materials Science, Volume 244, 2024, 113232, ISSN 0927-0256,

nova-explorer /vast-pea

A collection of scripts, tools and utilities for the atomistic simulation of vitrimers

alokranjancheme /alokranjancheme.github.io

M.Tech Project QMEL LAB IIT Kharagpur

VoltLabs-Research /LammpsIO

High-performance parser & utilities for LAMMPS trajectory frames