luzihen / AIMD_ToolkitLinks
This a toolkit repository to read, and analysis ab initio molecular dynamics simulations
☆11Updated 4 years ago
Alternatives and similar repositories for AIMD_Toolkit
Users that are interested in AIMD_Toolkit are comparing it to the libraries listed below
Sorting:
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆12Updated 5 years ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆30Updated 6 months ago
- ☆16Updated 5 years ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆21Updated 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…☆22Updated 2 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- Tools for Phono(3)py power users.☆33Updated last year
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated 2 months ago
- AICON2: A program for calculating transport properties quickly and accurately☆15Updated last year
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆24Updated 4 years ago
- Tutorials on atomic simulations related to my research☆27Updated 2 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.☆29Updated 2 months ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 2 years ago
- ☆41Updated 6 years ago
- Python program for analyzing the output files of phonopy.☆13Updated 3 years ago
- TDEP Tutorials☆30Updated 3 weeks ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆27Updated 6 months ago
- Interfacial Phonon code☆27Updated 2 years ago
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆29Updated last year
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 5 years ago
- 高通量建立vasp模型和批量分析模型性质（High throughput VASP model and batch analysis model properties）☆12Updated 3 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated last year
- extract third order force constants from TDEP output☆9Updated 5 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆17Updated 2 years ago
- Visualize vibrational modes from VASP calculations☆41Updated 5 months ago
- python workflow for GW-BSE calculation☆28Updated 2 years ago
- Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆16Updated 5 years ago
- GPUMD and LAMMPS helper functions for thermal computations☆10Updated 3 years ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆35Updated 3 weeks ago