hityingph / supporting-infoLinks
This GitHub repository contains additional information supporting published manuscripts
☆17Updated last year
Alternatives and similar repositories for supporting-info
Users that are interested in supporting-info 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
- Tutorials on atomic simulations related to my research☆30Updated 3 years ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆40Updated this week
- Molecular dynamics package designed for the SIESTA DFT code.☆17Updated 3 weeks ago
- Tools for Phono(3)py power users.☆34Updated last year
- Some scripts for gpumd and nep☆20Updated 11 months ago
- GPUMD and LAMMPS helper functions for thermal computations☆26Updated 3 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
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆25Updated 2 years ago
- A Toolkit for GPUMD&NEP☆43Updated last week
- ☆43Updated 7 years ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆30Updated last week
- ☆48Updated 11 months ago
- Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop☆14Updated 2 years ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆22Updated 3 years ago
- ☆19Updated 6 years ago
- Interfacial Phonon code☆28Updated 3 years ago
- A lightweight python package for reading and writing VASP ML_AB files☆39Updated 6 months ago
- A python interface of NEP☆61Updated 8 months ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆13Updated 5 months ago
- Some examples of GPUMD☆23Updated last year
- ☆61Updated 4 months ago
- Visualize vibrational modes from VASP calculations☆43Updated 7 months ago
- a workflow to do constant potential thermodynamic integration in VASP☆11Updated 8 months ago
- A python class for parsing VASP XDATCAR from molecular dynamics☆25Updated last year
- Dealing with slabs for first principles calculations of surfaces☆64Updated last year
- A tool for plotting phonon dispersion curves and phonon density of states.☆12Updated 4 years ago
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆20Updated 5 years ago
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆26Updated 2 years ago