JonathanSemelak / VDOSLinks
This Python script, get_VDOS.py, is designed to calculate the Vibrational Density of States (VDOS) from molecular dynamics trajectory files. It supports different file formats and offers flexibility in terms of data processing and analysis.
☆13Updated last year
Alternatives and similar repositories for VDOS
Users that are interested in VDOS are comparing it to the libraries listed below
Sorting:
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆26Updated 2 years ago
- A lightweight python package for reading and writing VASP ML_AB files☆35Updated 3 months ago
- ☆41Updated 6 years ago
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆28Updated 3 months ago
- Visualize vibrational modes from VASP calculations☆41Updated 5 months ago
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆47Updated 3 years ago
- Examples demonstrating how to reproduce the results in the paper.☆57Updated 7 months ago
- ☆44Updated 8 months ago
- ☆49Updated 2 months ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆51Updated 6 years ago
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆52Updated last week
- Tools for Phono(3)py power users.☆33Updated last year
- ASE interface for fully constant potential with VASP☆34Updated 8 months ago
- Dealing with slabs for first principles calculations of surfaces☆63Updated last year
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆39Updated this week
- ☆85Updated 7 months ago
- ☆67Updated 2 years ago
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- A... M... L...☆49Updated 3 years ago
- ☆27Updated 2 years ago
- ☆29Updated 5 months ago
- GRACE models and gracemaker (as implemented in TensorPotential package)☆58Updated last week
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆32Updated 3 months ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- A flexible workflow for on-the-fly learning of interatomic potential models.☆29Updated last week
- Band structure unfolding made easy!☆53Updated 2 weeks ago
- Site-Occupation Disorder☆41Updated 2 months ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated 2 months ago
- A python interface of NEP☆54Updated 6 months ago