Roy-Kid / lammpscnLinks
☆75Updated 2 years ago
Alternatives and similar repositories for lammpscn
Users that are interested in lammpscn are comparing it to the libraries listed below
Sorting:
- 我盗版我自己☆75Updated 2 years ago
- Some scripting tools used for lammps input or output☆62Updated 7 months ago
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆87Updated 4 years 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
- A simple and fast python library to handle the data generated from molecular dynamics simulations☆90Updated this week
- Python interface for VASP☆89Updated this week
- XMU Chenglab Wiki☆95Updated 6 months ago
- An optimization framework using Latin Hypercube Design and deep learning to explore high-dimensional parameter spaces.☆29Updated 2 years ago
- VASPKIT_manual markdown source!☆81Updated 6 years ago
- cp2k postprocessing tools☆74Updated 3 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
- ☆60Updated last year
- Computational Materials Science(Book)☆111Updated 2 months ago
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆43Updated 4 years ago
- ☆39Updated 2 months ago
- LAMMPS input from lammpstutorials.github.io☆57Updated 3 months ago
- 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…☆57Updated 6 years ago
- Python scripts for dealing with molecular dynamics script for LAMMPS☆18Updated 3 years ago
- Tools to be used with the Atomic Simulation Environment (ASE). Currently, the main features are for VASP.☆13Updated 13 years ago
- Python tools to handle CP2K output files☆46Updated last week
- I-ReaxFF: stand for Intelligent-Reactive Force Field☆36Updated last week
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆31Updated 6 years ago
- LAMMPS tutorials for both beginners and advanced users☆129Updated 3 months ago
- Python Cp2k interface☆100Updated 3 years ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆62Updated 6 years ago
- an automatic reaction network generator for reactive molecular dynamics simulation☆95Updated 2 weeks ago
- A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.☆40Updated 2 weeks ago
- Files used in tutorials☆46Updated 5 years ago
- Generate random alloys and compute various properties☆64Updated last year
- SPaMD (Scalable Parallel Materials/Molecular Design/Dynamics Studio) is an integrated software platform developed by the research group o…☆29Updated 8 months ago