☆78Sep 14, 2023Updated 2 years ago
Alternatives and similar repositories for lammpscn
Users that are interested in lammpscn are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆14Aug 5, 2026Updated 3 weeks ago
- Generate LAMMPS datafile of confined tribological systems for NEMD simulations. Structure: slab-OFM-alkane-OFM-slab☆12Feb 27, 2026Updated 6 months ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆34May 14, 2019Updated 7 years ago
- 我盗版我自己☆76Apr 14, 2023Updated 3 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆27Sep 27, 2019Updated 6 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Sample codes for my book on molecular dynamics simulation☆293Jan 26, 2026Updated 7 months ago
- An optimization framework using Latin Hypercube Design and deep learning to explore high-dimensional parameter spaces.☆30Oct 18, 2023Updated 2 years ago
- ☆14Nov 8, 2025Updated 9 months ago
- Input files and results of paper: Phase equilibrium of liquid water and hexagonal from ice enhanced sampling molecular dynamics simulatio…☆11Apr 9, 2021Updated 5 years ago
- LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample☆37Jul 18, 2020Updated 6 years ago
- ☆116Oct 13, 2022Updated 3 years ago
- 《能源环境材料计算模拟方法》学习笔记，包括linux基础命令、pbs作业 管理系统、vasp、materials studio等。☆24Aug 12, 2026Updated 3 weeks ago
- ☆17Dec 13, 2022Updated 3 years ago
- Python program for analyzing the output files of phonopy.☆15Sep 14, 2021Updated 4 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Examples demonstrating how to reproduce the results in the paper.☆71Nov 6, 2024Updated last year
- ☆13Dec 17, 2025Updated 8 months ago
- Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook - based o…☆38Updated this week
- ☆47Oct 23, 2025Updated 10 months ago
- Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop☆14Jul 13, 2023Updated 3 years ago
- Phonon anharmonicity analysis from molecular dynamics☆143Jul 22, 2026Updated last month
- Extending and Modifying LAMMPS Writing Your Own Source Code, published by Packt☆121Mar 2, 2026Updated 6 months ago
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆93May 11, 2026Updated 3 months ago
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆18Dec 8, 2022Updated 3 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- SMolSAT.py: Soft-Matter Molecular Simulation Analysis Toolkit☆15Dec 17, 2024Updated last year
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆39May 19, 2026Updated 3 months ago
- Scripts to extract various properties from VASP OUTCAR file☆12Jul 30, 2023Updated 3 years ago
- Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆15Mar 11, 2020Updated 6 years ago
- Tutorials related to GPUMD☆110Updated this week
- My PhD thesis☆12Jan 7, 2020Updated 6 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆52Mar 9, 2019Updated 7 years ago
- Sample codes on computational solid state physics☆17Aug 15, 2020Updated 6 years ago
- Code to convert DFPT modes in OUTCAR files to VESTA images☆27Aug 14, 2022Updated 4 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Files used in tutorials☆47Apr 26, 2020Updated 6 years ago
- A script for calculating Fermi-Softness.☆13Feb 17, 2022Updated 4 years ago
- ☆14Jul 7, 2016Updated 10 years ago
- A Python library and command line interface for automated free energy calculations☆94Updated this week
- This a toolkit repository to read, and analysis ab initio molecular dynamics simulations☆12Apr 11, 2021Updated 5 years ago
- Online resource for introduction to crystallography at Imperial College London (MATE40004)☆14Nov 8, 2022Updated 3 years ago
- A fast, clean, and composable toolkit for molecular modeling☆49Updated this week