MCresearch / abacus-user-guideLinks
ABACUS开源软件的中文用户文档
☆25Updated last week
Alternatives and similar repositories for abacus-user-guide
Users that are interested in abacus-user-guide are comparing it to the libraries listed below
Sorting:
- NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.☆64Updated this week
- A python interface of NEP☆54Updated 6 months ago
- ☆49Updated 2 months ago
- GPTFF allowing anyone to directly download and run the AI model in an out-of-the-box manner☆55Updated 3 months ago
- ASE interface for fully constant potential with VASP☆34Updated 8 months ago
- Tutorials on CP2K calculations☆52Updated 3 years ago
- cp2k postprocessing tools☆68Updated 3 weeks ago
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆32Updated 3 months ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆51Updated 6 years ago
- Examples demonstrating how to reproduce the results in the paper.☆57Updated 7 months ago
- A machine learning workflow for calculating the electron-phonon coupling (EPC)☆29Updated last month
- Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model☆37Updated 2 weeks ago
- ☆59Updated 6 months ago
- ab-initio nonadiabatic molecular dynamics program☆106Updated last year
- A Toolkit for GPUMD&NEP☆28Updated 3 weeks ago
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆28Updated 3 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…☆55Updated 5 years ago
- Tutorials related to GPUMD☆31Updated 2 months ago
- Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.☆22Updated this week
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- A flexible workflow for on-the-fly learning of interatomic potential models.☆29Updated this week
- A high performace ReaxFF/AIMD trajectory analysis tool based on graph theory.☆45Updated this week
- Python tools to handle CP2K output files☆39Updated this week
- ☆36Updated 5 years ago
- This Python script, get_VDOS.py, is designed to calculate the Vibrational Density of States (VDOS) from molecular dynamics trajectory fil…☆13Updated last year
- ☆44Updated 8 months ago
- LASP python library including scripts and auto-NNtrain workflow☆19Updated last year
- ☆12Updated 2 months ago
- Python Cp2k interface☆95Updated 3 years ago
- ☆27Updated 2 years ago