chenggroup / new-comer-tutorialLinks
新生入学培训资料
☆18Updated 3 years ago
Alternatives and similar repositories for new-comer-tutorial
Users that are interested in new-comer-tutorial are comparing it to the libraries listed below
Sorting:
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆62Updated 6 years ago
- ☆73Updated 8 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
- ASE interface for fully constant potential with VASP☆40Updated last year
- Some scripting tools used for lammps input or output☆62Updated 7 months ago
- ab-initio nonadiabatic molecular dynamics program☆116Updated last year
- ☆60Updated last year
- Fix lattice component(s) during relaxation in VASP☆130Updated 3 weeks ago
- VASPKIT_manual markdown source!☆81Updated 6 years ago
- ☆127Updated 6 years ago
- Tutorials related to GPUMD☆73Updated last week
- GPTFF allowing anyone to directly download and run the AI model in an out-of-the-box manner☆65Updated this week
- ☆61Updated 3 years ago
- cp2k postprocessing tools☆74Updated last week
- LAMMPS interface for phonon calculations using phonopy☆91Updated last month
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.☆106Updated last week
- ☆60Updated last year
- 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
- Examples demonstrating how to reproduce the results in the paper.☆68Updated last year
- A grain boundary generation code☆79Updated 2 years ago
- ☆45Updated 7 years ago
- Export Eigenvectors from Phonopy format to VESTA☆50Updated last year
- scripts related to qe☆27Updated 3 years ago
- A python interface of NEP☆67Updated last month
- A Toolkit for GPUMD&NEP☆91Updated last week
- 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，…☆68Updated 4 years ago
- Phonon anharmonicity analysis from molecular dynamics☆134Updated 2 months ago
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆48Updated last week