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 8 months ago
- Course on topology in condensed matter☆10Apr 19, 2016Updated 10 years ago
- ☆25Nov 10, 2020Updated 5 years ago
- A repository hosting materials used during Wannier-related tutorials and schools☆46Jun 12, 2026Updated 4 months ago
- Transfer learning repo☆11Feb 6, 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.
- A plugin for the AiiDA platform providing workflows for calculations with defects☆12Aug 22, 2024Updated 2 years ago
- AiiDA plugin for the Wannier90 code☆12May 10, 2024Updated 2 years ago
- Software to study polarization and topological properties of crystalline solids☆31Oct 17, 2026Updated 2 weeks ago
- ☆14Nov 16, 2022Updated 3 years ago
- SLMat: ServerLess Materials Design Toolkit, Preprint: https://doi.org/10.26434/chemrxiv-2024-fqq27☆21Feb 4, 2026Updated 8 months ago
- A lite tool for monitoring convergence in VASP relaxation☆17Jul 4, 2024Updated 2 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 6 months ago
- Effective mass calculation with DFT☆16Jan 20, 2026Updated 9 months ago
- Python package to analyse electron density & electrostatic potential grids☆92Jan 10, 2026Updated 9 months ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Python quantum chemistry (experimental and test routines)☆12May 21, 2021Updated 5 years ago
- V2DB (Virtual 2D Materials Database): the code for generating and predicting the novel 2D materials by virtual screening.☆26Aug 20, 2020Updated 6 years ago
- A code to compute the radial distribution function☆21Feb 22, 2019Updated 7 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆20Mar 21, 2020Updated 6 years ago
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆22Apr 30, 2025Updated last year
- Computational experiments using SMACT for materials design☆11Jul 3, 2020Updated 6 years ago
- A collection of command line utilities for manipulating VASP input / outpu☆25Mar 4, 2022Updated 4 years ago
- post-processing package that performs analysis of structural, transport, and thermodynamic properties from ab initio molecular dynamics s…☆16Updated this week
- Evaluate various supervised learning methods to predict cohesive energies of solids (kernel ridge regression is the best)☆11Jul 18, 2014Updated 12 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- A shell script for calculating many interesting materials' parameters for photovoltaic applications, includng Band gap, polarisation☆23Nov 15, 2015Updated 10 years ago
- CPLAP is a program designed to determine the thermodynamical stability of a material, and, if it is stable, to determine the ranges of th…☆20Oct 29, 2025Updated last year
- JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citati…☆16Aug 26, 2026Updated 2 months ago
- Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.☆39May 8, 2023Updated 3 years ago
- 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 6 years ago
- Topological Insulators - Notebooks for an introductory course☆70Oct 17, 2017Updated 9 years ago
- A book on modeling materials using VASP, ase and vasp☆469Updated this week
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆59Sep 25, 2023Updated 3 years ago
- Protein preparation for MD, made faster and easier !☆15Dec 18, 2023Updated 2 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Construct phonon tight-binding model and calculate its topological properties☆27Sep 15, 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
- Unfolding the band structure of a supercell obtained with VASP☆26Dec 28, 2022Updated 3 years ago
- ☆27Jul 15, 2026Updated 3 months ago
- Automatic search for the most stable magnetic state of a given structure☆26Feb 17, 2026Updated 8 months ago
- BerkeleyGW python☆36Updated this week
- Vibrations - a Python Code for Anharmonic Theoretical Vibrational Spectroscopy☆11Updated this week