AlexGabourie / thermoLinks
GPUMD and LAMMPS helper functions for thermal computations
☆26Updated 3 years ago
Alternatives and similar repositories for thermo
Users that are interested in thermo are comparing it to the libraries listed below
Sorting:
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆32Updated 9 months ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆44Updated this week
- Tutorials on atomic simulations related to my research☆31Updated 3 years ago
- Some examples of GPUMD☆23Updated last year
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆24Updated 3 weeks ago
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆28Updated 4 years ago
- Visualizing lattice vibration information from phonon dispersion to atoms (For GPUMD)☆31Updated 2 weeks ago
- A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport☆28Updated 5 years ago
- Some scripts for gpumd and nep☆20Updated last year
- This GitHub repository contains additional information supporting published manuscripts☆18Updated last year
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆20Updated 5 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆30Updated last week
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆14Updated 5 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 3 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- Tools for Phono(3)py power users.☆34Updated last year
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated 6 months ago
- Export Eigenvectors from Phonopy format to VESTA☆48Updated 9 months ago
- Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations☆30Updated 3 years ago
- Material structure processing software based on ASE (Atomic Simulation Environment)☆61Updated last month
- A Python interface for GPUMD☆32Updated 2 years ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆28Updated 10 months ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆33Updated last year
- NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.☆84Updated this week
- A Toolkit for GPUMD&NEP☆47Updated this week
- An automated toolkit for training neuroevolution potential (NEP), integrating tools like GPUMD, VASP, and NEP for streamlined workflows i…☆33Updated last week
- GPUMD and LAMMPS helper functions for thermal computations☆10Updated 3 years ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 5 months ago
- Interfacial Phonon code☆28Updated 3 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆56Updated last year