Running a molecular simulation with the polarizable force field in LAMMPS
☆21Jan 9, 2023Updated 3 years ago
Alternatives and similar repositories for tutorial-lmp
Users that are interested in tutorial-lmp are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Polarisable force field for ionic liquids☆17Apr 16, 2026Updated 2 weeks ago
- Repository of the gromacstutorials webpage☆14Jan 23, 2026Updated 3 months ago
- Force field for ionic liquids☆74Apr 16, 2026Updated 2 weeks ago
- Tool to build force field input files for molecular simulation☆197Apr 1, 2026Updated last month
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆46Nov 12, 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.
- LAMMPS inputs and data files☆303Oct 9, 2024Updated last year
- ☆14Jul 7, 2016Updated 9 years ago
- Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook - based o…☆36Updated this week
- Package to perform minimum-distance distribution analyses of complex solute-solvent interactions☆24Apr 24, 2026Updated last week
- Este é um repositório que contem os notebooks do projeto PET.py do PET - Física da UFRN.☆16Updated this week
- LAMMPS tutorials for Beginners☆462Feb 19, 2023Updated 3 years ago
- Input files and results of paper: Phase equilibrium of liquid water and hexagonal from ice enhanced sampling molecular dynamics simulatio…☆10Apr 9, 2021Updated 5 years ago
- Convert PDB files to LAMMPS data and force field files.☆20Oct 9, 2017Updated 8 years ago
- Learning Molecular Dynamics with LAMMPS☆16Jan 15, 2024Updated 2 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Shared repo for trajectory analysis and infrastructure development☆23Feb 21, 2024Updated 2 years ago
- How-to perform LAMMPS simulations☆16Nov 27, 2023Updated 2 years ago
- Tool to read a logfile produced by LAMMPS into a pandas dataframe with a get_log("log.lammps")-function providing the log data.☆70Jan 8, 2026Updated 3 months ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆14Apr 22, 2026Updated last week
- LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample☆36Jul 18, 2020Updated 5 years ago
- Lammps tutorial: graphene simulations☆35Aug 27, 2020Updated 5 years ago
- Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop☆14Jul 13, 2023Updated 2 years ago
- Command line tool providing BOSS generated OPLS-AA/CM1A(-LBCC) parameters for organic molecules and ligands.☆11Oct 5, 2017Updated 8 years ago
- Analysis of Molecular Dynamics output in the IPython Notebook☆10Jan 24, 2017Updated 9 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.
- ☆19Jul 14, 2022Updated 3 years ago
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆40Nov 11, 2021Updated 4 years ago
- Data files which may be used to test examples accompanying the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. T…☆15Oct 7, 2017Updated 8 years ago
- Generate LAMMPS datafile of confined tribological systems for NEMD simulations. Structure: slab-OFM-alkane-OFM-slab☆12Feb 27, 2026Updated 2 months ago
- On-the-fly calculation of Transport Properties☆28Jun 19, 2023Updated 2 years ago
- LAMMPS tutorials for both beginners and advanced users☆139Oct 2, 2025Updated 7 months ago
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆87Nov 9, 2021Updated 4 years ago
- How to start with Jupyter, Python, Libs, Github and Models☆13May 18, 2022Updated 3 years ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆22Aug 19, 2025Updated 8 months ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Constant potential method in LAMMPS☆52Aug 10, 2023Updated 2 years ago
- Automation of computational chemistry tasks using GAMESS, Orca, PSI4 and Gaussian. Gamess tasks emphasise the use of FMO calculations.☆24Apr 27, 2025Updated last year
- A set of tools for analyzing molecular dynamics simulations☆12Mar 25, 2026Updated last month
- reactive MD python pipeline for GROMACS using Kinetic Monte Carlo / Molecular Dynamics (KIMMDY)☆14Nov 19, 2019Updated 6 years ago
- Supporting Information for "Prediction of Organic Compound Aqueous Solubility Using Interpretable Machine Learning"☆13Jun 5, 2023Updated 2 years ago
- A Python library for constructing polymer topologies and coordinates☆19Sep 23, 2025Updated 7 months ago
- NanoMine Nanocomposites Data Resource (master branch is production)☆20May 1, 2023Updated 3 years ago