Roy-Kid / extending-lammps-zhView external linksLinks
我盗版我自己
☆76Apr 14, 2023Updated 2 years ago
Alternatives and similar repositories for extending-lammps-zh
Users that are interested in extending-lammps-zh are comparing it to the libraries listed below
Sorting:
- Extending and Modifying LAMMPS Writing Your Own Source Code, published by Packt☆111Feb 5, 2026Updated last week
- A fast, clean, and composable toolkit for molecular modeling☆39Feb 1, 2026Updated 2 weeks ago
- ☆76Sep 14, 2023Updated 2 years ago
- Density Functional Theory with Finite Difference and Lagrange Function Basis Sets☆14Oct 29, 2015Updated 10 years ago
- data and code to reduplicate paper: Topological representations of crystalline compounds for the machine-learning prediction of materials…☆22Jan 21, 2021Updated 5 years ago
- atomes: codeblocks dev files☆15Updated this week
- Some scripting tools used for lammps input or output☆63May 19, 2025Updated 8 months ago
- Examples demonstrating how to reproduce the results in the paper.☆70Nov 6, 2024Updated last year
- 收集和整理适用于高熵合金分子动力学模拟的势函数。A set of interatomic potentials suitable for molecular dynamics simulations of high entropy alloys.☆38Dec 23, 2025Updated last month
- A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies☆311Nov 17, 2025Updated 2 months ago
- A fully automated approach to determine the melting temperature of crystalline materials☆20Jul 23, 2024Updated last year
- A high performace ReaxFF/AIMD trajectory analysis tool based on graph theory.☆75Oct 28, 2025Updated 3 months ago
- Public development project of the LAMMPS MD software package☆2,777Updated this week
- Graphics Processing Units Molecular Dynamics☆723Feb 8, 2026Updated last week
- 2nd generation of the Deep Potential GENerator☆40Feb 5, 2026Updated last week
- LAMMPS tutorials for Beginners☆437Feb 19, 2023Updated 2 years ago
- Algorithms used in Statistical Mechanics☆19Sep 29, 2019Updated 6 years ago
- A simple and fast python library to handle the data generated from molecular dynamics simulations☆92Feb 5, 2026Updated last week
- 《能源环境材料计算模拟方法》学习笔记，包括linux基础命令、pbs作业管理系统、vasp、materials studio等。☆24Updated this week
- DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular…☆188Jan 15, 2026Updated last month
- Python scripts for dealing with molecular dynamics script for LAMMPS☆18Sep 18, 2022Updated 3 years ago
- Inverse Design of Materials by Multi-objective Differential Evolution☆50Aug 9, 2019Updated 6 years ago
- XMU Chenglab Wiki☆97Jul 7, 2025Updated 7 months ago
- Computational Materials Science(Book)☆116Jan 19, 2026Updated 3 weeks ago
- Linear Response Method for Calculating U Values in VASP☆30Jul 24, 2025Updated 6 months ago
- For the conversion of crystal systems (as cifs) to LAMMPS inputs☆27Sep 13, 2021Updated 4 years ago
- Source code of the Kinetic Monte Carlo MMonCa, available for diffusion of dopants in crystalline materials and simulation of epitaxial gr…☆31Oct 21, 2025Updated 3 months ago
- A python interface of NEP☆68Oct 27, 2025Updated 3 months ago
- This repository contains detailed instructions, input files and data analysis Jupyter notebooks for performing free energy calculations …☆29Sep 28, 2020Updated 5 years ago
- Tool to read a logfile produced by LAMMPS into a pandas dataframe with a get_log("log.lammps")-function providing the log data.☆66Jan 8, 2026Updated last month
- LAMMPS tutorials for both beginners and advanced users☆136Oct 2, 2025Updated 4 months ago
- Tutorials on atomic simulations related to my research☆31Jun 30, 2022Updated 3 years ago
- Code I have written for course: Statistical Mechanics and Computations☆27Sep 1, 2025Updated 5 months ago
- Dislocation dynamics codes☆11Nov 3, 2017Updated 8 years ago
- cp2k test☆10May 26, 2019Updated 6 years ago
- ☆12Feb 1, 2018Updated 8 years ago
- To Learn use meep to so simulations☆11Feb 15, 2025Updated last year
- Demos for book: Scientific computing for physicists.☆33Nov 6, 2025Updated 3 months ago
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆382Jan 30, 2026Updated 2 weeks ago