chenggroup / chenggroup.github.io
XMU Chenglab Wiki
☆71Updated this week
Related projects: ⓘ
- 浙江大学王林军课题组入门指南☆61Updated 4 years ago
- ☆15Updated last year
- cp2k postprocessing tools☆55Updated this week
- Tutorials on CP2K calculations☆40Updated 2 years ago
- Computational Materials Science(Book)☆56Updated 4 months ago
- 新生入学培训资料☆16Updated last year
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆49Updated 5 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…☆52Updated 5 years ago
- Fix lattice component(s) during relaxation in VASP☆101Updated 2 years ago
- ☆52Updated 4 months ago
- LAMMPS interface for phonon calculations using phonopy☆83Updated 3 weeks ago
- A python interface of NEP☆46Updated 3 months ago
- ☆106Updated 5 years ago
- Some scripting tools used for lammps input or output☆51Updated 2 years ago
- Generating Deep Potential with Python☆56Updated last week
- A machine learning workflow for calculating the electron-phonon coupling (EPC)☆12Updated last month
- ab-initio nonadiabatic molecular dynamics program☆93Updated 3 months ago
- VASPKIT_manual markdown source!☆77Updated 5 years ago
- ☆36Updated 6 months ago
- ☆58Updated last year
- Gromacs to Lammps simulation converter☆65Updated 9 months ago
- An E(3) equivariant Graph Neural Network for predicting electronic Hamiltonian matrix☆54Updated 2 weeks ago
- Fully validating pure-python CP2K input file tools including preprocessing capabilities☆45Updated this week
- an automatic reaction network generator for reactive molecular dynamics simulation☆64Updated this week
- Python tools to handle CP2K output files☆30Updated this week
- ☆48Updated last year
- ☆22Updated 2 years ago
- ASE interface for fully constant potential with VASP☆23Updated last month
- ☆40Updated 6 years ago
- ☆100Updated last year