brucefan1983 / NEP_CPU
CPU version of NEP
☆53Updated last week
Related projects ⓘ
Alternatives and complementary repositories for NEP_CPU
- Material structure processing software based on ASE (Atomic Simulation Environment)☆42Updated 2 weeks ago
- A Python interface for GPUMD☆29Updated last year
- Some scripts for gpumd and nep☆22Updated this week
- Some examples of GPUMD☆22Updated 6 months ago
- Some scripts for gpumd and nep☆19Updated last month
- A python interface of NEP☆49Updated last month
- GPUMD and LAMMPS helper functions for thermal computations☆25Updated 2 years ago
- NEP训练可视化☆14Updated this week
- Visualizing lattice vibration information from phonon dispersion to atoms (For GPUMD)☆26Updated 8 months ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆62Updated 7 months ago
- Tutorials on atomic simulations related to my research☆27Updated 2 years ago
- Phonon anharmonicity analysis from molecular dynamics☆114Updated 2 weeks ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆51Updated 2 years ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆26Updated 5 months ago
- Fix lattice component(s) during relaxation in VASP☆105Updated 2 years ago
- LAMMPS interface for phonon calculations using phonopy☆84Updated 2 months ago
- Visualize vibrational modes from VASP calculations☆37Updated 2 years ago
- Defect structure-searching employing chemically-guided bond distortions☆82Updated 2 weeks ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆22Updated last month
- In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …☆25Updated last year
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆24Updated 3 years ago
- Export Eigenvectors from Phonopy format to VESTA☆35Updated last month
- Allen-Feldman thermal conductivity compatible to GULP implementation☆17Updated last month
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆46Updated 3 months ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆25Updated 8 months ago
- A Toolkit for GPUMD&NEP☆9Updated 3 weeks ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆30Updated 2 years ago
- ☆46Updated 2 years ago
- Concentric Approximation - Non-adiabatic Coupling☆20Updated last year
- ☆22Updated 2 years ago