Git mirror of https://svn.fysik.dtu.dk/projects/gpaw/trunk
☆15Feb 28, 2011Updated 15 years ago
Alternatives and similar repositories for gpaw
Users that are interested in gpaw are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- gpaw-tools is a powerful and user-friendly UI/GUI tool for conducting Density Functional Theory (DFT) and molecular dynamics (MD) calcula…☆30Feb 4, 2026Updated 6 months ago
- A lite tool for monitoring convergence in VASP relaxation☆17Jul 4, 2024Updated 2 years ago
- Computational experiments using SMACT for materials design☆11Jul 3, 2020Updated 6 years ago
- Course on topology in condensed matter☆10Apr 19, 2016Updated 10 years ago
- QXMD: Non-adiabatic Quantum Molecular Dynamics Simulation Engine☆14May 2, 2026Updated 3 months ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- ☆12Feb 28, 2020Updated 6 years ago
- A general linear model for microkinetic catalytic systems.☆10Feb 8, 2023Updated 3 years ago
- AiiDA plugin for the Wannier90 code☆12May 10, 2024Updated 2 years ago
- ☆16Feb 27, 2020Updated 6 years ago
- Software to calculate magnetostriction coefficients and magnetoelastic constants☆20Aug 2, 2023Updated 3 years ago
- Nagoya Atomistic-simulation Package (NAP). Why don't you take a NAP? ;)☆23Jul 7, 2026Updated last month
- ☆20Jan 22, 2022Updated 4 years ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆20May 7, 2020Updated 6 years ago
- 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
- 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 collection of command line utilities for manipulating VASP input / outpu☆25Mar 4, 2022Updated 4 years ago
- ☆19May 30, 2019Updated 7 years ago
- Molar is a database management to make it easy to store experiment whether computational or not☆12Jul 15, 2022Updated 4 years ago
- ☆25Nov 10, 2020Updated 5 years ago
- post-processing package that performs analysis of structural, transport, and thermodynamic properties from ab initio molecular dynamics s…☆14Jan 9, 2026Updated 7 months ago
- Evaluate various supervised learning methods to predict cohesive energies of solids (kernel ridge regression is the best)☆11Jul 18, 2014Updated 12 years ago
- Tutorial notebook for symmetry features in ASE☆26Nov 21, 2019Updated 6 years ago
- Data, in citable form, produced by the Coudert research group☆46Apr 11, 2026Updated 4 months ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆59Sep 25, 2023Updated 2 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Some useful vasp scripts and tools☆22Dec 7, 2019Updated 6 years ago
- Software to study polarization and topological properties of crystalline solids☆31Nov 15, 2024Updated last year
- Python package to analyse electron density & electrostatic potential grids☆91Jan 10, 2026Updated 7 months ago
- Prototype code of the tight-binding hamiltonian construction neural network model. Check the example_basic_method.py to construct a TB mo…☆33May 5, 2022Updated 4 years ago
- ☆34Dec 4, 2022Updated 3 years ago
- An open-source framework to treat strongly correlated materials using DMFT.☆31Updated this week
- PDielec is a Python package for post-processing solid state QM and MM calculations of Infrared Spectra☆15Updated this week
- Jupyter notebooks and data for our Chemistry of Materials article "Data-driven First Principles Methods for the Study and Design of Alkal…☆12Oct 1, 2020Updated 5 years ago
- BerkeleyGW python☆37Jan 8, 2022Updated 4 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- ☆26Jul 15, 2026Updated 3 weeks ago
- Solvent network analysis. Hop is a python package based on MDAnalysis to analyze solvation dynamics.☆15Sep 20, 2018Updated 7 years ago
- Protein preparation for MD, made faster and easier !☆15Dec 18, 2023Updated 2 years ago
- ☆10Mar 29, 2023Updated 3 years ago
- DFTB parameter optimization tools☆12Oct 5, 2023Updated 2 years ago
- Script library mainly about chemical physics.☆26Jun 15, 2025Updated last year
- Unfolding the band structure of a supercell obtained with VASP☆26Dec 28, 2022Updated 3 years ago