针对开源模拟软件Lammps导出的数据文件，个人采用Python脚本进行数据处理并科研绘图，并取得相关的论文成果。
☆50Jun 9, 2021Updated 4 years ago
Alternatives and similar repositories for lammps-data-processing
Users that are interested in lammps-data-processing are comparing it to the libraries listed below
Sorting:
- Examples demonstrating how to reproduce the results in the paper.☆70Nov 6, 2024Updated last year
- LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample☆36Jul 18, 2020Updated 5 years ago
- Lammps tutorial: graphene simulations☆34Aug 27, 2020Updated 5 years ago
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆87Nov 9, 2021Updated 4 years ago
- A Graphene and Graphite Forcefield for LAMMPS☆13Jun 19, 2019Updated 6 years ago
- A tool for performing post-processing of lammps log files☆12Jul 28, 2021Updated 4 years ago
- Fluid-phase Free-energy Calculation package for LAMMPS☆29Feb 3, 2022Updated 4 years ago
- Some scripting tools used for lammps input or output☆63May 19, 2025Updated 9 months ago
- Code for running NEMD simulation on LAMMPS and post-processing the results to compute viscosity☆17Aug 18, 2020Updated 5 years ago
- Python scripts for dealing with molecular dynamics script for LAMMPS☆18Sep 18, 2022Updated 3 years ago
- LAMMPS tutorials for both beginners and advanced users☆136Oct 2, 2025Updated 5 months ago
- LAMMPS inputs and data files☆294Oct 9, 2024Updated last year
- LAMMPS code for stacking fault energy calculation☆11Sep 23, 2020Updated 5 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…☆70Jul 16, 2021Updated 4 years ago
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆44Nov 12, 2021Updated 4 years ago
- Atomify - a realtime LAMMPS visualizer☆159Oct 19, 2022Updated 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 4 years ago
- Code snippets for pre- and postprocessing simulation runs with Ovito, ASE and other tools☆11Aug 2, 2024Updated last year
- ☆16Dec 17, 2024Updated last year
- ☆13Dec 17, 2025Updated 2 months ago
- Scripts to extract various properties from VASP OUTCAR file☆12Jul 30, 2023Updated 2 years ago
- This reaxFF LAMMPS script can be used to simulate the oxidation of nanomaterials, followed by cooling and thermal equilibration. Finally,…☆13Jul 29, 2022Updated 3 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆50Mar 9, 2019Updated 6 years ago
- Matlab codes to calculate solid-liquid contact angle from Molecular Dynamics simulations☆15Mar 16, 2020Updated 5 years ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆14Sep 13, 2025Updated 5 months ago
- ☆14Jul 7, 2016Updated 9 years ago
- Simulation methods for particle systems, materials, and complex fluids with fluctuating hydrodynamics approaches (stochastic immersed bou…☆14Nov 14, 2025Updated 3 months ago
- Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop☆14Jul 13, 2023Updated 2 years ago
- A MATLAB program for simulating film growth using Kinetic Monte Carlo.☆15Mar 10, 2021Updated 4 years ago
- Generate LAMMPS datafile of confined tribological systems for NEMD simulations. Structure: slab-OFM-alkane-OFM-slab☆12Feb 6, 2026Updated 3 weeks ago
- FSI simulations using OpenFOAM☆12Jul 10, 2020Updated 5 years ago
- Command line tool providing BOSS generated OPLS-AA/CM1A(-LBCC) parameters for organic molecules and ligands.☆11Oct 5, 2017Updated 8 years ago
- ☆114Oct 13, 2022Updated 3 years ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Jun 28, 2018Updated 7 years ago
- Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook - based o…☆36Feb 23, 2026Updated last week
- 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
- Radial Distribution Function(rdf) 镜像分布函数计算☆15Nov 29, 2020Updated 5 years ago
- LAMMPS tutorials for Beginners☆440Feb 19, 2023Updated 3 years ago
- This program calculates the main correlation functions of a material: Radial Distribution Function (J(r)), Pair Distribution Function (g(…☆21Updated this week