☆13Feb 14, 2025Updated last year
Alternatives and similar repositories for RSDFT
Users that are interested in RSDFT are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- MAterials Simulation Toolkit for use with pymatgen☆17Feb 21, 2024Updated 2 years ago
- Extension of almaBTE's Monte Carlo code beyond the relaxation-time approximation.☆10Sep 24, 2023Updated 2 years ago
- FDF files for relaxation, PDOS and Denchar calculations in SIESTA 4.0.2 version as well as 4.1v and PSML supported version☆28Nov 13, 2024Updated last year
- Calculate the required k-point density from the input geometry for periodic quantum chemistry calculations☆23Nov 8, 2022Updated 3 years ago
- ☆24Apr 27, 2026Updated last week
- 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.
- Matlab Simulation Package for Ab-initio Real-space Calculations☆32Nov 10, 2025Updated 5 months ago
- A poor man's density functional theory program☆14Apr 26, 2026Updated last week
- A code to simulate linearized phonon transport☆15May 7, 2017Updated 8 years ago
- Provides basic data structures and helpful functions for manipulating structures, generating input files, pre-running error checks, etc.☆14Apr 21, 2026Updated 2 weeks ago
- Materials informatics framework for ab initio data repositories☆18Aug 16, 2022Updated 3 years ago
- A real-space DFT code☆16Dec 4, 2020Updated 5 years ago
- Draft for my book about implementing density functional theory☆20Mar 18, 2026Updated last month
- PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+☆48May 31, 2024Updated last year
- Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various thi…☆19May 17, 2021Updated 4 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.
- Visualization and editing of periodic molecular structure files.☆28Jan 20, 2026Updated 3 months ago
- The quasiparticle self-consistent GW method in the PMT method (LAPW+LMTO+Lo).☆35Jan 24, 2026Updated 3 months ago
- plane wave basis set density functional thoery code☆19Mar 29, 2026Updated last month
- Pseudopotential Studio☆21May 6, 2021Updated 4 years ago
- Embedding module for VASP and tools for its use.☆10Feb 20, 2025Updated last year
- DFT-D3 interface☆12Apr 3, 2023Updated 3 years ago
- Pythonic electronic structure theory.☆23Apr 15, 2026Updated 2 weeks ago
- Natural-orbital Functional based on PySCF☆11Aug 27, 2024Updated last year
- Main repository for the CP-PAW code☆12Updated this week
- 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.
- Simulating the fractional quantum Hall effect with neural network variational Monte Carlo☆22Sep 12, 2025Updated 7 months ago
- USTC计算物理A☆10Aug 16, 2021Updated 4 years ago
- DMRG and DMRGSCF☆15Mar 8, 2024Updated 2 years ago
- Visualization library to work with the paraDIS dislocation dynamics code☆13Sep 27, 2018Updated 7 years ago
- Python library for computing electron-phonon renormalizations from finite displacements☆11Jan 6, 2025Updated last year
- Monte Carlo simulation routines for high-performance parallelization of differential equation solvers and scientific machine learning