BURAI, a GUI system of Quantum ESPRESSO
☆72May 7, 2021Updated 4 years ago
Alternatives and similar repositories for burai
Users that are interested in burai are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A library of ultrasoft and PAW pseudopotentials☆96Sep 16, 2022Updated 3 years ago
- A script for calculating Fermi-Softness.☆13Feb 17, 2022Updated 4 years ago
- ☆12Feb 28, 2020Updated 6 years ago
- Main repository for the CP-PAW code☆12Mar 19, 2026Updated last week
- ☆38Oct 8, 2019Updated 6 years ago
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.☆649Feb 26, 2026Updated last month
- BandUP: Band Unfolding code for Plane-wave based calculations☆106Apr 13, 2021Updated 4 years ago
- An interface program between Gaussian and CFour.☆13Sep 18, 2023Updated 2 years ago
- Python scripts for plot band structure from Quantum Espresso (pwscf) bands.x output files☆21May 17, 2024Updated last year
- Generate isosurface from density data☆14Mar 7, 2026Updated 2 weeks ago
- Band structure of bulk 2H-phase MoS2☆32Feb 15, 2022Updated 4 years ago
- Quantum Visualization Interacting Toolkit for Ab-initio Simulations☆76Updated this week
- Atomistic Topology Operations in Matlab, scripts for manipulation of molecular dynamics or monte carlo simulation systems☆23Nov 27, 2025Updated 4 months ago
- CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…☆57Jul 15, 2019Updated 6 years ago
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Jan 26, 2024Updated 2 years ago
- ☆236Jul 31, 2020Updated 5 years ago
- Visualization and editing of periodic molecular structure files.☆27Jan 20, 2026Updated 2 months ago
- Calculate 3rd order elastic constant.☆13Mar 23, 2025Updated last year
- Natural-orbital Functional based on PySCF☆10Aug 27, 2024Updated last year
- Script library mainly about chemical physics.☆26Jun 15, 2025Updated 9 months ago
- The Orthogonalized Linear Combination of Atomic Orbitals package.☆26Mar 19, 2026Updated last week
- Parallel Computational Chemistry Application☆18Aug 31, 2017Updated 8 years ago
- Real-time TDDFT for Quantum-Espresso☆24Jun 22, 2023Updated 2 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- A modular electronic structure theory code☆21Aug 11, 2018Updated 7 years ago
- Machine-learning quantum mechanics☆10Sep 17, 2020Updated 5 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆27Sep 27, 2019Updated 6 years ago
- Two-Dimensional Finite Difference Hartree-Fock Program☆17Feb 14, 2025Updated last year
- A general parser for VASP☆15Updated this week
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆62Feb 27, 2026Updated last month
- Analysis of quantum chemical interactions in molecules and solids.☆116Mar 19, 2026Updated last week
- Embedding module for VASP and tools for its use.☆10Feb 20, 2025Updated last year
- python scripts useful to users of computational chemistry software☆43Jun 8, 2022Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- Compiled binaries and sources of Quantum ESPRESSO, redistributed by AdvanceSoft Corp.☆28Mar 18, 2026Updated last week
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Jan 26, 2026Updated 2 months ago
- Provides basic data structures and helpful functions for manipulating structures, generating input files, pre-running error checks, etc.☆14Mar 9, 2026Updated 2 weeks ago
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated last year
- cif2cell compatible with Python 3+☆12Sep 30, 2022Updated 3 years ago
- SeQuant: second quantization toolkit☆16Nov 19, 2022Updated 3 years ago
- ☆16Feb 27, 2020Updated 6 years ago