Roy-Kid / lammpscnLinks
☆76Updated 2 years ago
Alternatives and similar repositories for lammpscn
Users that are interested in lammpscn are comparing it to the libraries listed below
Sorting:
- Some scripting tools used for lammps input or output☆62Updated 8 months ago
- 我盗版我自己☆76Updated 2 years ago
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆87Updated 4 years ago
- A simple and fast python library to handle the data generated from molecular dynamics simulations☆90Updated last week
- XMU Chenglab Wiki☆96Updated 6 months ago
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆49Updated 7 months ago
- ☆60Updated last year
- An optimization framework using Latin Hypercube Design and deep learning to explore high-dimensional parameter spaces.☆29Updated 2 years ago
- Computational Materials Science(Book)☆114Updated 2 weeks ago
- 《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 last week
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆64Updated 6 years ago
- VASPKIT_manual markdown source!☆82Updated 6 years ago
- Python interface for VASP☆89Updated this week
- CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…☆56Updated 6 years ago
- cp2k postprocessing tools☆76Updated last month
- Python Cp2k interface☆100Updated 3 years ago
- Examples demonstrating how to reproduce the results in the paper.☆70Updated last year
- A grain boundary generation code☆80Updated 2 years ago
- Python scripts for dealing with molecular dynamics script for LAMMPS☆18Updated 3 years ago
- LAMMPS input from lammpstutorials.github.io☆58Updated 4 months ago
- An useful tool to submit your VASP job on HPC, manage your jobs and extract eneries...自动化VASP任务提交、计算结果提取，任务文件管理的工具☆75Updated 5 years ago
- A python interface of NEP☆68Updated 3 months ago
- SPaMD (Scalable Parallel Materials/Molecular Design/Dynamics Studio) is an integrated software platform developed by the research group o…☆29Updated 9 months ago
- Files used in tutorials☆46Updated 5 years ago
- LAMMPS tutorials for both beginners and advanced users☆133Updated 3 months ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- ABACUS开源软件的中文用户文档☆38Updated this week
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆44Updated 4 years ago
- Generate random alloys and compute various properties☆66Updated this week
- VaspCZ: an Efficient VASP Computation Assistant Program, with High Throughput Computing. 包含静态优化、过渡态计算、振动分析等☆124Updated 3 years ago