Convert files from the ATB repository to LAMMPS format
☆22Aug 26, 2025Updated 11 months ago
Alternatives and similar repositories for atb2lammps
Users that are interested in atb2lammps are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Personal functions for making figures in Python☆20Jun 27, 2026Updated last month
- NMRforMD is a python script for the calculation of NMR relaxation time T1 and T2 from molecular dynamics trajectory file.☆25May 3, 2025Updated last year
- Python scripts for dealing with molecular dynamics script for LAMMPS☆18Sep 18, 2022Updated 3 years ago
- Repository of the gromacstutorials webpage☆14Jan 23, 2026Updated 6 months ago
- Generate LAMMPS datafile of confined tribological systems for NEMD simulations. Structure: slab-OFM-alkane-OFM-slab☆12Feb 27, 2026Updated 5 months 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.
- Python script for calculating vibrational density of states (DOS) from LAMMPS dump file☆20Aug 19, 2024Updated last year
- GROMACS input files☆19May 17, 2023Updated 3 years ago
- LAMMPS inputs and data files☆307Oct 9, 2024Updated last year
- 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 PEG topology for GROMACS and LAMMPS☆26Aug 19, 2024Updated last year
- Input script for Monte Carlo (GCMC) simulations☆20Sep 5, 2024Updated last year
- LAMMPS tutorials for both beginners and advanced users☆145Oct 2, 2025Updated 9 months ago
- LAMMPS input from lammpstutorials.github.io☆65Oct 1, 2025Updated 9 months ago
- How-to perform LAMMPS simulations☆16Nov 27, 2023Updated 2 years ago
- 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.
- Calculates 3d structure factor and simulated x-ray diffraction pattern from molecular dynamics trajectories☆19Nov 21, 2019Updated 6 years ago
- This GitHub repository contains additional information supporting published manuscripts☆21Sep 9, 2024Updated last year
- ☆16Dec 17, 2024Updated last year
- The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free and open-source software to conduct molecular- and particle-b…☆44Jun 25, 2026Updated last month
- GPUMD and LAMMPS helper functions for thermal computations☆10May 21, 2022Updated 4 years ago
- Python library for computing electron-phonon renormalizations from finite displacements☆11Jan 6, 2025Updated last year
- In this project, we give python and C++ codes for the Ring Polymer Molecular Dynamics (RMPD) to calculate the time correlation function(…☆12Dec 31, 2017Updated 8 years ago
- ☆13Nov 8, 2025Updated 8 months ago
- ☆10Jun 9, 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.
- Extension of almaBTE's Monte Carlo code beyond the relaxation-time approximation.☆10Sep 24, 2023Updated 2 years ago
- Gromacs to Lammps simulation converter☆94Dec 9, 2023Updated 2 years ago
- Python scripts used for the paper "Tuning MXenes towards their Use in Photocatalytic Water Splitting", published in EEM.☆15Nov 15, 2023Updated 2 years ago
- A Transfer Learning Study of Gas Adsorption in Metal-Organic Frameworks☆15Jul 15, 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
- A python package to analyze Molecular Dynamics (MD) trajectories of amorphous Metal-Organic Frameworks (MOFs).☆13Aug 29, 2023Updated 2 years ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆22May 7, 2026Updated 2 months ago
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆40Nov 11, 2021Updated 4 years ago
- Some codes/scripts I wrote for post-processing the ugly formatted VASP outputs.☆13Aug 15, 2020Updated 5 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- A python script to prepare GROMACS input files using INTERFACE forcefield☆28May 12, 2026Updated 2 months ago
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆14Nov 11, 2019Updated 6 years ago
- A GPU-enabled Brownian dynamics package for simulation of polymeric solutions☆14Feb 26, 2023Updated 3 years ago
- A dissipative particle dynamics (DPD) project.☆13Aug 16, 2023Updated 2 years ago
- MDANSE: Molecular Dynamics Analysis for Neutron Scattering Experiments☆27Updated this week
- A Python assistant for performing and analyzing molecular dynamics simulations of soft matter systems☆22Aug 20, 2025Updated 11 months ago
- Learning Molecular Dynamics with LAMMPS☆16Jan 15, 2024Updated 2 years ago