A lite tool for monitoring convergence in VASP relaxation
☆17Jul 4, 2024Updated 2 years ago
Alternatives and similar repositories for usefultools-for-vasp
Users that are interested in usefultools-for-vasp are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Git mirror of https://svn.fysik.dtu.dk/projects/gpaw/trunk☆15Feb 28, 2011Updated 15 years ago
- ☆19May 30, 2019Updated 7 years ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆59Sep 25, 2023Updated 2 years ago
- cif2cell compatible with Python 3+☆12Sep 30, 2022Updated 3 years ago
- ☆12Feb 28, 2020Updated 6 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- A general linear model for microkinetic catalytic systems.☆10Feb 8, 2023Updated 3 years ago
- End-to-end code for predicting Curie temp. and other magnetic properties of 2D materials.☆14Aug 31, 2022Updated 3 years ago
- ☆71Oct 8, 2024Updated last year
- ☆12Aug 30, 2023Updated 2 years ago
- ☆23Apr 16, 2020Updated 6 years ago
- ☆16Feb 27, 2020Updated 6 years ago
- ☆87Apr 16, 2025Updated last year
- ☆39Oct 8, 2019Updated 6 years ago
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆225Updated this week
- 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.
- Software to calculate magnetostriction coefficients and magnetoelastic constants☆20Aug 2, 2023Updated 2 years ago
- Python program to evaluate off-resonance Raman activity using VASP code as the backend.☆185Jan 7, 2026Updated 6 months ago
- Structure Prototype Analysis Package can analyze symmetry and compare similarity of a large number of atomic structures.☆24Sep 9, 2022Updated 3 years ago
- A script for calculating Fermi-Softness.☆13Feb 17, 2022Updated 4 years ago
- Analysis of quantum chemical interactions in molecules and solids.☆119Updated this week
- The thermal conductivity of a molecular dynamics system is calculated using the Green-Kubo fluctuation Dissipation Theorem☆17Feb 11, 2021Updated 5 years ago
- DFT optimised crystal structures of inorganic and hybrid halide perovskites☆113Sep 3, 2019Updated 6 years ago
- create wavefunction file from selected spin, kpoint and band index in VASP wavecar☆14Jan 24, 2022Updated 4 years ago
- Manipulating VASP files with Python.☆300May 15, 2026Updated last month
- 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.
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆17Feb 5, 2018Updated 8 years ago
- API database tools for accessing the NIST Interatomic Potentials Repository: explore and download interatomic potentials and computed pro…☆14Aug 14, 2025Updated 10 months ago
- DFT post processing tools☆26Jul 24, 2024Updated last year
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆27Sep 27, 2019Updated 6 years ago
- ☆24Nov 10, 2020Updated 5 years ago
- A collection of command line utilities for manipulating VASP input / outpu☆25Mar 4, 2022Updated 4 years ago
- Tutorial notebook for symmetry features in ASE☆26Nov 21, 2019Updated 6 years ago
- A collection of scripts to interpret/organize VASP output files☆24Oct 13, 2016Updated 9 years ago
- Some useful vasp scripts and tools☆22Dec 7, 2019Updated 6 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- ☆31Apr 16, 2018Updated 8 years ago
- Ferroelectric/Ferroelastic domain wall builder☆23Oct 17, 2024Updated last year
- Interatomic potential creating using DFT training data.☆28Oct 20, 2019Updated 6 years ago
- High-throughput simulation for crystalline interfaces☆21Jun 14, 2026Updated 3 weeks ago
- Solvation model for the plane wave DFT code VASP.☆177Oct 1, 2025Updated 9 months ago
- A simulation package of phonon-phonon interaction related properties☆164Jun 30, 2026Updated last week
- A MATlab toolkit for LAttice DYnamics calculations based on empirical potentials☆10Jul 29, 2019Updated 6 years ago