A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP package
☆17Feb 5, 2018Updated 8 years ago
Alternatives and similar repositories for VASP-Tools
Users that are interested in VASP-Tools are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Pymatgen-based script to collect structural descriptors from many atomic structures.☆13Nov 29, 2025Updated 6 months ago
- Script library mainly about chemical physics.☆26Jun 15, 2025Updated 11 months ago
- Visualizations☆14Jan 10, 2022Updated 4 years ago
- A collection of command line utilities for manipulating VASP input / outpu☆25Mar 4, 2022Updated 4 years ago
- quick analysis of vasp calculation☆38Jun 7, 2024Updated 2 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- ☆12Feb 28, 2020Updated 6 years ago
- A computational framework to automate point defect calculations☆38Jun 5, 2018Updated 8 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…☆28May 25, 2023Updated 3 years ago
- This is the repository of code and data for paper "Machine learning-enabled chemical space exploration of all-inorganic perovskites for p…☆11Sep 23, 2024Updated last year
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Feb 21, 2019Updated 7 years ago
- ☆16Feb 27, 2020Updated 6 years ago
- A physics computational framework for python and ipython☆39Jul 11, 2025Updated 11 months ago
- Visualize vibrational modes from VASP calculations☆47Jan 20, 2025Updated last year
- SLABCC: Total energy correction code for charged periodic slab models. Project is currently maintained at https://codeberg.org/meisam/sla…☆17Jan 28, 2025Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆37Apr 19, 2024Updated 2 years ago
- ☆19May 30, 2019Updated 7 years ago
- A python class for parsing VASP XDATCAR from molecular dynamics☆26Mar 22, 2026Updated 2 months ago
- ☆62Jul 19, 2022Updated 3 years ago
- Manager for first-principles calculations☆18Jun 5, 2026Updated last week
- Occupation matrix control modification VASP☆56Sep 11, 2019Updated 6 years ago
- ☆46Jul 6, 2018Updated 7 years ago
- elastic_vasp is a VASP-based Python tool that generates strained structures and extracts elastic constants from strain-energy calculati…☆15Apr 14, 2026Updated 2 months ago
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Jan 19, 2025Updated last year
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- The Materials Project Workshop Curriculum☆121Mar 1, 2023Updated 3 years ago
- Script to generate distorted perovskite structures☆13Feb 10, 2024Updated 2 years ago
- Tutorial notebook for symmetry features in ASE☆26Nov 21, 2019Updated 6 years ago
- Vizualisation of Atomic Contributions to Phonon Modes☆13Nov 6, 2024Updated last year
- Etomica is a molecular simulation framework written in Java, developed at the Department of Chemical & Biological Engineering at the Uni…☆16Jun 2, 2026Updated last week
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years ago
- Scripts to extract various properties from VASP OUTCAR file☆12Jul 30, 2023Updated 2 years ago
- VASPKIT_manual markdown source!☆84May 29, 2019Updated 7 years ago
- ☆49Jun 15, 2020Updated 5 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Computational experiments using SMACT for materials design☆11Jul 3, 2020Updated 5 years ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆14Apr 22, 2026Updated last month
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆18Dec 18, 2022Updated 3 years ago
- band plot using python matplotlib☆183Oct 30, 2024Updated last year
- Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook - based o…☆38Updated this week
- ☆68Oct 8, 2024Updated last year
- Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.☆25Dec 10, 2017Updated 8 years ago