Postprocessing of Lammps outfile to analyze ReaxFF dyanamics data
☆13Apr 27, 2019Updated 7 years ago
Alternatives and similar repositories for LammpsPostprocessing
Users that are interested in LammpsPostprocessing are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆33May 14, 2019Updated 7 years ago
- Training code used to optimize reaxff force field (via LAMMPS)☆20May 29, 2017Updated 8 years ago
- python wrappers for generating training files for the ReaxFF code☆24Apr 10, 2014Updated 12 years ago
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆51May 7, 2026Updated last week
- An optimization framework using Latin Hypercube Design and deep learning to explore high-dimensional parameter spaces.☆30Oct 18, 2023Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Lammps tutorial: graphene simulations☆35Aug 27, 2020Updated 5 years ago
- This repository contained python code used to do organic free energy calculation. Reference: http://www.bevanlab.biochem.vt.edu/Pages/Per…☆11Aug 2, 2018Updated 7 years ago
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆41Nov 11, 2021Updated 4 years ago
- ☆45Oct 23, 2025Updated 6 months ago
- I-ReaxFF: stand for Intelligent-Reactive Force Field☆38Updated this week
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆14Apr 22, 2026Updated 3 weeks ago
- This a toolkit repository to read, and analysis ab initio molecular dynamics simulations☆11Apr 11, 2021Updated 5 years ago
- PDF/Image to TIFF Converter - A high-quality Python tool for converting PDFs/PNGs/JPGs to TIFF with 400+ DPI precision. Supports multi-pa…☆24Jul 12, 2025Updated 10 months ago
- Convert PDB files to LAMMPS data and force field files.☆20Oct 9, 2017Updated 8 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs☆166May 24, 2023Updated 2 years ago
- This reaxFF LAMMPS script can be used to simulate the oxidation of nanomaterials, followed by cooling and thermal equilibration. Finally,…☆14Jul 29, 2022Updated 3 years ago
- [UNMAINTAINED] Lammps data file creation☆28May 28, 2018Updated 7 years ago
- CP2K binaries for 32/64 bit Windows☆31Jan 12, 2026Updated 4 months ago
- an automatic reaction network generator for reactive molecular dynamics simulation☆98May 12, 2026Updated last week
- ☆14Jul 7, 2016Updated 9 years ago
- A high performace ReaxFF/AIMD trajectory analysis tool based on graph theory.☆82Apr 8, 2026Updated last month
- A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.☆41May 11, 2026Updated last week
- Introduction to kinetic Monte Carlo (kMC) Simulations with Examples in Jupyter Notebooks☆28Aug 14, 2019Updated 6 years 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.
- A thermal rate constant calculator and kinetics Monte Carlo Simulator☆17Apr 12, 2024Updated 2 years ago
- A classical Density Functional Theory code to calculate the properties of hard spheres or Lennard-Jones particles in planar geometry i.e.…☆17Feb 6, 2025Updated last year
- LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample☆37Jul 18, 2020Updated 5 years ago
- Scanning probe microscopy simulation tools based on CP2K☆14Feb 16, 2026Updated 3 months ago
- ☆49Jun 15, 2020Updated 5 years ago
- Jupyter Notebooks of Leonard Susskind's Statistical Mechanics lectures☆17Oct 31, 2018Updated 7 years ago
- A set of python scripts for automating iterative the iterative Boltzmann inversion method using LAMMPS.☆14Jun 10, 2015Updated 10 years ago
- ☆10Mar 29, 2023Updated 3 years ago
- Generate data file for lammps using force field and a POSCAR (VASP) like input file.☆20Feb 19, 2016Updated 10 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Some useful VMD scrpits☆10May 24, 2016Updated 9 years ago
- A script for calculating Fermi-Softness.☆13Feb 17, 2022Updated 4 years ago
- On-the-fly calculation of Transport Properties☆30Jun 19, 2023Updated 2 years ago
- A python package for classical Density Functional Theory (cDFT). This package allows you to find the equilibrium density profile of an in…☆28Jan 5, 2022Updated 4 years ago
- ☆24Oct 9, 2025Updated 7 months ago
- Free energy perturbation in LAMMPS.☆23Apr 18, 2021Updated 5 years ago
- DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input☆29Apr 18, 2019Updated 7 years ago