☆79Sep 14, 2023Updated 3 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:
- A fast, clean, and composable toolkit for molecular modeling☆50Updated this week
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆34May 14, 2019Updated 7 years ago
- 我盗版我自己☆77Apr 14, 2023Updated 3 years ago
- Running a molecular simulation with the polarizable force field in LAMMPS☆21Jan 9, 2023Updated 3 years ago
- Generate LAMMPS datafile of confined tribological systems for NEMD simulations. Structure: slab-OFM-alkane-OFM-slab☆12Feb 27, 2026Updated 8 months 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.
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆15Aug 5, 2026Updated 2 months ago
- An optimization framework using Latin Hypercube Design and deep learning to explore high-dimensional parameter spaces.☆31Oct 18, 2023Updated 3 years ago
- Files used in tutorials☆47Apr 26, 2020Updated 6 years ago
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆53May 7, 2026Updated 5 months ago
- Sample codes for my book on molecular dynamics simulation☆297Jan 26, 2026Updated 9 months ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆27Sep 27, 2019Updated 7 years ago
- LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample☆38Jul 18, 2020Updated 6 years 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
- A Python library and command line interface for automated free energy calculations☆95Oct 11, 2026Updated 3 weeks 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.
- An AiiDA workflow that implements a fully automated active learning scheme to train a neural network interatomic potential☆14Jul 2, 2026Updated 3 months ago
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆93May 11, 2026Updated 5 months ago
- LAMMPS inputs and data files☆311Oct 9, 2024Updated 2 years ago
- ☆64Dec 5, 2024Updated last year
- 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
- Ring-Polymer Molecular Dynamics extension package for LAMMPS☆13Nov 28, 2018Updated 7 years ago
- Extending and Modifying LAMMPS Writing Your Own Source Code, published by Packt☆124Mar 2, 2026Updated 8 months ago
- LAMMPS interface for phonon calculations using phonopy☆96Nov 5, 2025Updated 11 months ago
- ☆17Dec 13, 2022Updated 3 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Python program for analyzing the output files of phonopy.☆15Sep 14, 2021Updated 5 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。☆25Aug 12, 2026Updated 2 months ago
- ☆117Oct 13, 2022Updated 4 years ago
- A benchmark for Large Atomistic Models☆20Updated this week
- ☆14Nov 8, 2025Updated 11 months ago
- VSCODE extension for language support of LAMMPS scripts☆58Updated this week
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆65May 30, 2019Updated 7 years ago
- Benchmark CPUs and GPUs by running molecular dynamics simulations in LAMMPS☆16Oct 25, 2022Updated 4 years ago
- Examples demonstrating how to reproduce the results in the paper.☆72Nov 6, 2024Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop☆14Jul 13, 2023Updated 3 years ago
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆34Oct 30, 2022Updated 4 years ago
- Atomsk: A Tool For Manipulating And Converting Atomic Data Files -☆258Oct 22, 2026Updated last week
- A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies☆325Nov 17, 2025Updated 11 months ago
- Phonon anharmonicity analysis from molecular dynamics☆143Updated this week
- Code snippets for pre- and postprocessing simulation runs with Ovito, ASE and other tools☆11Jun 23, 2026Updated 4 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