stanfordbshan / CompMatBookLinks
Computational Materials Science(Book)
☆115Updated 3 weeks ago
Alternatives and similar repositories for CompMatBook
Users that are interested in CompMatBook are comparing it to the libraries listed below
Sorting:
- Some scripting tools used for lammps input or output☆62Updated 8 months ago
- ☆60Updated last year
- 我盗版我自己☆76Updated 2 years ago
- 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.☆38Updated last month
- XMU Chenglab Wiki☆97Updated 7 months ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆64Updated 6 years ago
- ☆128Updated 6 years ago
- Useful scripts for VASP☆200Updated 4 years ago
- cp2k postprocessing tools☆76Updated last month
- 新生入学培训资料☆18Updated 3 years ago
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆50Updated 8 months ago
- Fix lattice component(s) during relaxation in VASP☆136Updated 2 months ago
- A grain boundary generation code☆80Updated 2 years 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…☆56Updated 6 years 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
- 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。☆50Updated 4 years ago
- ☆16Updated 2 years ago
- NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.☆112Updated this week
- ☆76Updated 2 years ago
- A python interface of NEP☆68Updated 3 months ago
- VASPKIT_manual markdown source!☆82Updated 6 years ago
- Tutorials related to GPUMD☆78Updated last month
- 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☆125Updated 3 years ago
- Sample codes for my book on molecular dynamics simulation☆278Updated last week
- Examples demonstrating how to reproduce the results in the paper.☆70Updated last year
- ☆75Updated 9 months ago
- ☆15Updated 2 months ago
- A simple and fast python library to handle the data generated from molecular dynamics simulations☆92Updated this week
- New ASE compliant Python interface to VASP☆144Updated last week
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆87Updated 4 years ago