zhyan0603 / GPUMDkitLinks
A Toolkit for GPUMD&NEP
☆27Updated 2 weeks ago
Alternatives and similar repositories for GPUMDkit
Users that are interested in GPUMDkit are comparing it to the libraries listed below
Sorting:
- Some scripts for gpumd and nep☆20Updated 8 months ago
- Material structure processing software based on ASE (Atomic Simulation Environment)☆51Updated 2 weeks ago
- ☆12Updated 2 months ago
- NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.☆62Updated this week
- Some examples of GPUMD☆22Updated last year
- A python interface of NEP☆54Updated 6 months ago
- Some scripts for gpumd and nep☆32Updated last week
- GPUMD and LAMMPS helper functions for thermal computations☆25Updated 2 years ago
- A Python interface for GPUMD☆30Updated 2 years ago
- CPU version of NEP☆67Updated last month
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆35Updated 2 weeks ago
- Tutorials on atomic simulations related to my research☆27Updated 2 years ago
- An automated toolkit for training neuroevolution potential (NEP), integrating tools like GPUMD, VASP, and NEP for streamlined workflows i…☆25Updated last month
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆30Updated 6 months ago
- Visualizing lattice vibration information from phonon dispersion to atoms (For GPUMD)☆31Updated last year
- This GitHub repository contains additional information supporting published manuscripts☆17Updated 9 months ago
- ☆44Updated 8 months ago
- ☆27Updated 2 years ago
- ☆49Updated 2 months ago
- Deep Potential Evolution Accelerator☆17Updated 2 weeks ago
- Tutorials related to GPUMD☆29Updated last month
- ☆41Updated 6 years ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated 2 months ago
- ASE interface for fully constant potential with VASP☆34Updated 8 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- Examples demonstrating how to reproduce the results in the paper.☆57Updated 7 months ago
- Ferroelectric/Ferroelastic domain wall builder☆19Updated 8 months ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆60Updated 6 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆29Updated 2 months ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆66Updated last year