A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP
☆37Nov 10, 2024Updated last year
Alternatives and similar repositories for deltaspin
Users that are interested in deltaspin are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- DeepSPIN method for deep learning potential of magnetic systems☆21Jun 4, 2023Updated 3 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆18Dec 18, 2022Updated 3 years ago
- Python code for twisting the 2D materials.☆31Dec 8, 2022Updated 3 years ago
- ☆15Jul 28, 2026Updated last month
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆26Nov 7, 2025Updated 9 months ago
- 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 Bond valence site energy calculator☆27Aug 21, 2025Updated last year
- Time-reversal Euclidean neural networks based on e3nn☆19Sep 29, 2024Updated last year
- Generate isosurface from density data☆15Aug 25, 2026Updated last week
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆20Aug 14, 2026Updated 2 weeks ago
- Python library for computing electron-phonon renormalizations from finite displacements☆11Jan 6, 2025Updated last year
- Pymatgen-based script to collect structural descriptors from many atomic structures.☆13Nov 29, 2025Updated 9 months ago
- Unfolding the band structure of a supercell obtained with VASP☆26Dec 28, 2022Updated 3 years ago
- AIRSS works together with VASP.☆16Dec 8, 2022Updated 3 years ago
- MCP tools to connect LLMs and ABACUS jobs☆27Apr 7, 2026Updated 4 months ago
- 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.
- ☆20Aug 18, 2026Updated 2 weeks ago
- Some codes/scripts I wrote for post-processing the ugly formatted VASP outputs.☆13Aug 15, 2020Updated 6 years ago
- Magnetic critical temperature Calculator☆18Apr 2, 2024Updated 2 years ago
- Density matrix embedding theory for periodic systems☆20Dec 3, 2021Updated 4 years ago
- An interface for ELK-Wannier90 calculations☆16Oct 13, 2020Updated 5 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆31Aug 5, 2020Updated 6 years ago
- 高通量建立vasp模型和批量分析模型性质(High throughput VASP model and batch analysis model properties)☆13Aug 23, 2021Updated 5 years ago
- Resources and files for the advanced vampire workshop☆21Feb 6, 2026Updated 6 months ago
- Examples for the TB2J code☆23Oct 9, 2025Updated 10 months ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Useful tools integrated for VASP/Wannier90 interface☆13Aug 31, 2022Updated 4 years ago
- Genetic Algorithm for Structure and Phase Prediction☆20Aug 25, 2016Updated 10 years ago
- A modular electronic structure theory code☆21Aug 11, 2018Updated 8 years ago
- Electron Density Plotter☆40Feb 6, 2025Updated last year
- Quantum dynamics package based on tensor network states☆76May 20, 2026Updated 3 months ago
- Main repository for the CP-PAW code☆12Aug 16, 2026Updated 2 weeks ago
- A tutorial for beginners to write quantum chemistry programs with cpp.☆10Jan 13, 2024Updated 2 years ago
- The first diffusion model for inorganic materials that explicitly incorporates electronic structure information☆24Aug 4, 2026Updated 3 weeks ago
- Ab Initio Energies☆10Aug 3, 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.
- ☆10Sep 27, 2024Updated last year
- LibRPA is a library offering access to physical properties computed using many-body perturbation theory.☆20Aug 2, 2026Updated last month
- Tight Binding Machine Learning Toolkit☆47Dec 2, 2025Updated 9 months ago
- DMRG and DMRGSCF☆14Mar 8, 2024Updated 2 years ago
- Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation☆20Dec 31, 2025Updated 8 months ago
- An exploration of the state of the art in the application of data science to quantum chemistry.☆13Dec 30, 2025Updated 8 months ago
- A software to calculate thermal conductivity quickly and accurately☆39Feb 20, 2020Updated 6 years ago