我盗版我自己
☆76Apr 14, 2023Updated 3 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. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Extending and Modifying LAMMPS Writing Your Own Source Code, published by Packt☆117Mar 2, 2026Updated 3 months ago
- A fast, clean, and composable toolkit for molecular modeling☆40Updated this week
- ☆76Sep 14, 2023Updated 2 years ago
- Some scripting tools used for lammps input or output☆67May 19, 2025Updated last year
- Density Functional Theory with Finite Difference and Lagrange Function Basis Sets☆14Oct 29, 2015Updated 10 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.
- Examples demonstrating how to reproduce the results in the paper.☆72Nov 6, 2024Updated last year
- A Transfer Learning Study of Gas Adsorption in Metal-Organic Frameworks☆15Jul 15, 2020Updated 5 years ago
- A high performace ReaxFF/AIMD trajectory analysis tool based on graph theory.☆83Apr 8, 2026Updated 2 months 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
- A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies☆315Nov 17, 2025Updated 6 months ago
- atomes: codeblocks dev files☆15Jun 3, 2026Updated last week
- 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.☆39May 15, 2026Updated 3 weeks ago
- Public development project of the LAMMPS MD software package☆2,931Updated this week
- For the conversion of crystal systems (as cifs) to LAMMPS inputs☆27Sep 13, 2021Updated 4 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- 《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
- ☆16Dec 17, 2024Updated last year
- Graphics Processing Units Molecular Dynamics☆785Updated this week
- A fully automated approach to determine the melting temperature of crystalline materials☆22Jul 23, 2024Updated last year
- Python interface for the Dr. Probe command line tools☆13May 22, 2021Updated 5 years ago
- A simple and fast python library to handle the data generated from molecular dynamics simulations☆99May 22, 2026Updated 3 weeks ago
- PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic …☆12Nov 22, 2024Updated last year
- LAMMPS tutorials for Beginners☆473Feb 19, 2023Updated 3 years ago
- This repository contains detailed instructions, input files and data analysis Jupyter notebooks for performing free energy calculations …☆31Sep 28, 2020Updated 5 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular…☆196Apr 7, 2026Updated 2 months ago
- Python scripts for dealing with molecular dynamics script for LAMMPS☆18Sep 18, 2022Updated 3 years ago
- C++ toolkit for use in reading in and analyzing Gromacs files☆13Oct 3, 2020Updated 5 years ago
- Tutorials on atomic simulations related to my research☆31Jun 30, 2022Updated 3 years ago
- the tutorial of installing abaqus2023 on ubuntu 20.04/22.04 and link with ifort for user subroutine.☆17Apr 30, 2025Updated last year
- 2nd generation of the Deep Potential GENerator☆40May 25, 2026Updated 2 weeks ago
- Calculates the vapor-liquid equilibria (pressure versus temperature) phase envelope using Michelsen's continuation method.☆11Nov 12, 2022Updated 3 years ago
- The cpp version of Elastic Visco-plastic Self-Consistent model☆20Aug 19, 2025Updated 9 months ago
- Tool to read a logfile produced by LAMMPS into a pandas dataframe with a get_log("log.lammps")-function providing the log data.☆71Jan 8, 2026Updated 5 months ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- A software for mapping energy landscape with a variety of methods, using classical potentials. Based on the LAMMPS MD package.☆11Jan 29, 2021Updated 5 years ago
- Linear Response Method for Calculating U Values in VASP☆32Jul 24, 2025Updated 10 months ago
- Computational Materials Science(Book)☆128May 9, 2026Updated last month
- OptiMic: A tool to generate optimized polycrystalline microstructures for materials simulations. To cite this Original Software Publicati…☆12May 19, 2021Updated 5 years ago
- ☆45May 8, 2026Updated last month
- Software package for spin dynamics☆14Updated this week
- Inverse Design of Materials by Multi-objective Differential Evolution☆49May 13, 2026Updated last month