MCresearch / abacus-user-guide
ABACUS开源软件的中文用户文档
☆20Updated 3 weeks ago
Alternatives and similar repositories for abacus-user-guide:
Users that are interested in abacus-user-guide are comparing it to the libraries listed below
- ☆47Updated last week
- A python interface of NEP☆50Updated 4 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…☆54Updated 5 years ago
- Examples demonstrating how to reproduce the results in the paper.☆56Updated 5 months ago
- GPTFF allowing anyone to directly download and run the AI model in an out-of-the-box manner☆51Updated last month
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆27Updated last month
- Tutorials on CP2K calculations☆49Updated 3 years ago
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆25Updated last month
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆60Updated 5 years ago
- 新生入学培训资料☆19Updated 2 years ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆51Updated 6 years ago
- ab-initio nonadiabatic molecular dynamics program☆104Updated 11 months ago
- cp2k postprocessing tools☆66Updated 2 months ago
- NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.☆37Updated this week
- A machine learning workflow for calculating the electron-phonon coupling (EPC)☆28Updated 7 months ago
- ASE interface for fully constant potential with VASP☆32Updated 6 months ago
- Constant potential method in LAMMPS☆49Updated last year
- ☆37Updated 6 months ago
- Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.☆20Updated last month
- ☆25Updated 2 years ago
- Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model☆32Updated 3 months ago
- ☆57Updated 4 months ago
- LAMMPS interface for phonon calculations using phonopy☆85Updated 7 months ago
- ☆41Updated 6 years ago
- A grain boundary generation code☆65Updated last year
- Phonon anharmonicity analysis from molecular dynamics☆123Updated 5 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆54Updated 2 years ago
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆49Updated 3 weeks ago
- ☆36Updated 5 years ago