Roy-Kid / lammpscn
☆67Updated last year
Related projects: ⓘ
- 我盗版我自己☆64Updated last year
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆80Updated 2 years ago
- Some scripting tools used for lammps input or output☆51Updated 2 years ago
- Computational Materials Science(Book)☆56Updated 4 months ago
- ☆48Updated last year
- Python interface for VASP☆73Updated 3 months ago
- LAMMPS tutorials for both beginners and advanced users☆91Updated this week
- A grain boundary generation code☆55Updated last year
- Tutorials on CP2K calculations☆40Updated 2 years ago
- Python Cp2k interface☆86Updated 2 years ago
- Examples demonstrating how to reproduce the results in the paper.☆47Updated 2 years ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆49Updated 5 years ago
- Python scripts for dealing with molecular dynamics script for LAMMPS☆16Updated 2 years 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。☆22Updated last month
- Files used in tutorials☆44Updated 4 years ago
- Fix lattice component(s) during relaxation in VASP☆101Updated 2 years ago
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆33Updated 2 years ago
- Phonon anharmonicity analysis from molecular dynamics☆112Updated last month
- LAMMPS interface for phonon calculations using phonopy☆83Updated 3 weeks ago
- 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。☆37Updated 3 years ago
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆33Updated last week
- cp2k postprocessing tools☆55Updated last 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…☆52Updated 5 years ago
- SPaMD (Scalable Parallel Materials/Molecular Design/Dynamics Studio) is an integrated software platform developed by the research group o…☆25Updated 8 months ago
- A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.☆26Updated 8 years ago
- XMU Chenglab Wiki☆71Updated this week
- an automatic reaction network generator for reactive molecular dynamics simulation☆64Updated this week
- A set of python scripts for automating iterative the iterative Boltzmann inversion method using LAMMPS.☆11Updated 9 years ago
- LAMMPS input from lammpstutorials.github.io☆24Updated last month
- DENSITY FUNCTIONAL THEORY EXERCISES. 本习题解答针对 DAVID S. SHOLL 的 Density functional theory: a practical introduction[1]一书。理论依据为密度泛函(DFT)理论，…☆54Updated 3 years ago