Jonsnow-willow / GPUMD-WizardLinks
Material structure processing software based on ASE (Atomic Simulation Environment)
☆57Updated last week
Alternatives and similar repositories for GPUMD-Wizard
Users that are interested in GPUMD-Wizard are comparing it to the libraries listed below
Sorting:
- Some scripts for gpumd and nep☆40Updated 3 weeks ago
- NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.☆68Updated this week
- Some examples of GPUMD☆23Updated last year
- A Toolkit for GPUMD&NEP☆37Updated this week
- A Python interface for GPUMD☆31Updated 2 years ago
- Some scripts for gpumd and nep☆20Updated 9 months ago
- A python interface of NEP☆57Updated 7 months ago
- CPU version of NEP☆72Updated 3 months ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆37Updated this week
- GPUMD and LAMMPS helper functions for thermal computations☆26Updated 3 years ago
- Tutorials on atomic simulations related to my research☆29Updated 3 years ago
- ☆16Updated 4 months ago
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆27Updated 4 years ago
- An automated toolkit for training neuroevolution potential (NEP), integrating tools like GPUMD, VASP, and NEP for streamlined workflows i…☆28Updated last month
- This GitHub repository contains additional information supporting published manuscripts☆17Updated 10 months ago
- Anharmonic Lattice Dynamics☆158Updated this week
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆32Updated 7 months ago
- Tutorials related to GPUMD☆41Updated 3 months ago
- Phonon anharmonicity analysis from molecular dynamics☆130Updated 8 months ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆67Updated 3 weeks ago
- ☆57Updated 3 months ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆30Updated 2 weeks ago
- Fix lattice component(s) during relaxation in VASP☆123Updated 3 years ago
- ☆42Updated 7 years ago
- Export Eigenvectors from Phonopy format to VESTA☆46Updated 7 months ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated 4 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- Defect structure-searching employing chemically-guided bond distortions☆98Updated 3 weeks ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆61Updated 6 years ago
- A grain boundary generation code☆69Updated last year