Tool to read a logfile produced by LAMMPS into a pandas dataframe with a get_log("log.lammps")-function providing the log data.
☆67Jan 8, 2026Updated 2 months ago
Alternatives and similar repositories for lammps-logfile
Users that are interested in lammps-logfile are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Builder for molecular systems☆17Feb 3, 2026Updated last month
- Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook - based o…☆36Mar 18, 2026Updated last week
- Running a molecular simulation with the polarizable force field in LAMMPS☆21Jan 9, 2023Updated 3 years ago
- Pizza.py is a loosely integrated collection of tools written in Python, many of which provide pre- and post-processing capability for th…☆71Jul 16, 2021Updated 4 years ago
- Repository of the gromacstutorials webpage☆14Jan 23, 2026Updated 2 months ago
- 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.
- Benchmark CPUs and GPUs by running molecular dynamics simulations in LAMMPS☆15Oct 25, 2022Updated 3 years ago
- Python tools for working with LAMMPS files☆15Jan 5, 2026Updated 2 months ago
- ☆114Oct 13, 2022Updated 3 years ago
- Examples demonstrating how to reproduce the results in the paper.☆70Nov 6, 2024Updated last year
- A set of python scripts for automating iterative the iterative Boltzmann inversion method using LAMMPS.☆13Jun 10, 2015Updated 10 years ago
- ☆31Dec 4, 2022Updated 3 years ago
- This GitHub repository contains additional information supporting published manuscripts☆19Sep 9, 2024Updated last year
- Learning Molecular Dynamics with LAMMPS☆16Jan 15, 2024Updated 2 years ago
- ☆16Dec 17, 2024Updated last year
- 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.
- Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop☆14Jul 13, 2023Updated 2 years ago
- Real time molecular dynamics in the browser using LAMMPS☆72Mar 18, 2026Updated last week
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆44Nov 12, 2021Updated 4 years ago
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆87Nov 9, 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
- Contains Jupyter notebooks and other materials prepared for the course Numerical Methods offered at TIFR Hyderabad (https://moldis-group.…☆12Dec 26, 2022Updated 3 years ago
- LAMMPS interface for phonon calculations using phonopy☆90Nov 5, 2025Updated 4 months ago
- Multi-dimensional (generalized) Langevin equation☆11Sep 14, 2024Updated last year
- Data, in citable form, produced by the Coudert research group☆45Mar 5, 2026Updated 3 weeks ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Atomistic Manipulation Toolkit☆36Aug 27, 2025Updated 7 months ago
- polygon (ring network) discovery from XYZ files☆11Jun 21, 2016Updated 9 years ago
- LAMMPS inputs and data files☆298Oct 9, 2024Updated last year
- A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies☆312Nov 17, 2025Updated 4 months ago
- Cassandra is a Monte Carlo package to conduct atomistic simulations.☆52Nov 4, 2025Updated 4 months ago
- The official AiiDA plugin for Phonopy☆20Updated this week
- Atomistic Manipulation Toolkit☆95Aug 4, 2025Updated 7 months ago
- A Python package to compute and analyze transport properties.☆16Jul 27, 2025Updated 8 months ago
- Phonon anharmonicity analysis from molecular dynamics☆137Oct 2, 2025Updated 5 months ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- ☆25Mar 8, 2023Updated 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 7 months ago
- A Python library and command line interface for automated free energy calculations☆88Mar 19, 2026Updated last week
- CmuMD implementation for PLUMED2☆22Aug 4, 2023Updated 2 years ago
- On-the-fly calculation of Transport Properties☆28Jun 19, 2023Updated 2 years ago
- Python program for analyzing the output files of phonopy.☆14Sep 14, 2021Updated 4 years ago
- LAMMPS tutorials for both beginners and advanced users☆137Oct 2, 2025Updated 5 months ago