Generate data file for lammps using force field and a POSCAR (VASP) like input file.
☆20Feb 19, 2016Updated 10 years ago
Alternatives and similar repositories for Lammps-Data-File-Generator
Users that are interested in Lammps-Data-File-Generator 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 set of python scripts for automating iterative the iterative Boltzmann inversion method using LAMMPS.☆14Jun 10, 2015Updated 11 years ago
- A tool for performing post-processing of lammps log files☆12Jul 28, 2021Updated 5 years ago
- ☆14Jul 7, 2016Updated 10 years ago
- [UNMAINTAINED] Lammps data file creation☆28May 28, 2018Updated 8 years ago
- Free energy perturbation in LAMMPS.☆24Apr 18, 2021Updated 5 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.
- Convert PDB files to LAMMPS data and force field files.☆20Oct 9, 2017Updated 9 years ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using MPI pa…☆11Jun 16, 2021Updated 5 years ago
- Calculate higher-order elastic constant by first-principles or machine learning force field (interatomic potential)☆13Oct 24, 2026Updated last week
- automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs☆171May 24, 2023Updated 3 years ago
- Master project repository for Gøran Brekke Svaland. Molecular Dynamics using LAMMPS. CLAYFF. REAXFF.☆12May 26, 2015Updated 11 years ago
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆29May 25, 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
- Code to convert DFPT modes in OUTCAR files to VESTA images☆27Aug 14, 2022Updated 4 years ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆73Sep 12, 2026Updated last month
- 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.
- A Graphene and Graphite Forcefield for LAMMPS☆14Jun 19, 2019Updated 7 years ago
- LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample☆38Jul 18, 2020Updated 6 years ago
- Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations☆32Dec 25, 2021Updated 4 years ago
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆93May 11, 2026Updated 5 months ago
- 机器学习预测表面物种性质 Predict property on surface using machine learning with SOAP encode☆17Dec 27, 2018Updated 7 years ago
- Some scripting tools used for lammps input or output☆69May 19, 2025Updated last year
- Mean-field self-consistent equations for slave-boson superconductivity.☆12Jan 30, 2012Updated 14 years ago
- Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆15Mar 11, 2020Updated 6 years ago
- Postprocess the phonon spectra, phonon dos, atomic participation rate, mean square displacement, scattering rate, and energy cumulative …☆12Feb 27, 2021Updated 5 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.
- GPUMD and LAMMPS helper functions for thermal computations☆10May 21, 2022Updated 4 years ago
- Interactive command-line pre/post-processing copilot for the ABACUS DFT software (GPL-3.0)☆40Oct 1, 2026Updated last month
- Interface for simulations and standalone Python script generation with universal machine-learning interatomic potentials (MACE, CHGNet, S…☆46Oct 8, 2026Updated 3 weeks ago
- A fully automated approach to determine the melting temperature of crystalline materials☆22Sep 21, 2026Updated last month
- Automatically exported from code.google.com/p/elba-lammps☆21Feb 9, 2016Updated 10 years ago
- extract third order force constants from TDEP output☆10Jun 22, 2020Updated 6 years ago
- Contains the MD model used in the article Dewapriya and Miller, J. Appl. Mech. 88(10): 101005 (2021).☆14Jul 14, 2021Updated 5 years ago
- Python library for computing electron-phonon renormalizations from finite displacements☆11Jan 6, 2025Updated last year
- Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook - based o…☆38Updated this week
- 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.
- Extension of almaBTE's Monte Carlo code beyond the relaxation-time approximation.☆10Sep 24, 2023Updated 3 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆27Oct 23, 2015Updated 11 years ago
- This app is an ASE-base workflow used to reproduce a rational initial SEI morphology at the atomic scale by stochastically placing the cr…☆14Oct 19, 2026Updated 2 weeks ago
- Crsytal simulation tools☆11Updated this week
- Phonon dynamical structure factor calculation☆13Aug 11, 2023Updated 3 years ago
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆14Nov 11, 2019Updated 6 years ago
- LAMMPS inputs and data files☆311Oct 9, 2024Updated 2 years ago