FDF files for relaxation, PDOS and Denchar calculations in SIESTA 4.0.2 version as well as 4.1v and PSML supported version
☆29Nov 13, 2024Updated last year
Alternatives and similar repositories for Siesta
Users that are interested in Siesta are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆13Feb 14, 2025Updated last year
- Tutorials for the sisl-TBtrans-TranSiesta suite☆44May 31, 2026Updated 2 weeks ago
- A python-based graphical user interface for common BCA codes☆14Sep 24, 2025Updated 8 months ago
- ☆19Jan 27, 2020Updated 6 years ago
- Crystallographic files of common materials, elements, oxides, for visualization in Avogadro☆20Apr 1, 2026Updated 2 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Defining requirements formally and checking them when simulating☆15Feb 14, 2025Updated last year
- WanTiBEXOS code repository☆17Jun 6, 2026Updated last week
- Syntax definitions for the Modelica language☆12Apr 12, 2021Updated 5 years ago
- Molecular dynamics package designed for the SIESTA DFT code.☆17Nov 10, 2025Updated 7 months ago
- A poor man's density functional theory program☆14May 18, 2026Updated last month
- Module to command Dymola from python☆12May 11, 2017Updated 9 years ago
- Structure Prototype Analysis Package can analyze symmetry and compare similarity of a large number of atomic structures.☆24Sep 9, 2022Updated 3 years ago
- Enpower ABACUS calculation, for high efficiency, for high precision. Pseudopotential and Numerical Atomic Orbital library (developing)☆13Mar 27, 2026Updated 2 months ago
- An example of a testing framework written in 100% Modelica☆16Oct 19, 2018Updated 7 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Commit and push changes to a target git repo.☆10Jun 10, 2023Updated 3 years ago
- A free library for modeling systems described by 1D partial differential equations.☆17May 7, 2020Updated 6 years ago
- ☆26Jul 8, 2023Updated 2 years ago
- ☆26Apr 13, 2026Updated 2 months ago
- ☆24Nov 10, 2020Updated 5 years ago
- Construct phonon tight-binding model and calculate its topological properties☆27Sep 15, 2019Updated 6 years ago
- 2D dynamical attractors: Henon (forward and reverse), Clifford, and grid map.☆11Mar 9, 2022Updated 4 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆31Aug 6, 2021Updated 4 years ago
- 大数中医☆15Jul 10, 2024Updated last year
- 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.
- Software to study polarization and topological properties of crystalline solids☆31Nov 15, 2024Updated last year
- A book with the title: Modelica by Application: Power Systems☆12May 18, 2024Updated 2 years ago
- Implementation of a machine learned density functional☆38Jun 17, 2024Updated 2 years ago
- Personal blog of Antoine Caron aka Slashgear☆15Jun 11, 2026Updated last week
- URDF/SDF to to Modelica model converter.☆17Dec 14, 2018Updated 7 years ago
- An open source flight dynamics library for Modelica☆21Sep 2, 2012Updated 13 years ago
- (Radio) Python Astronomy Data Reductions Examiner☆13Feb 3, 2026Updated 4 months ago
- Tools to be used with the Atomic Simulation Environment (ASE). Currently, the main features are for VASP.☆14Nov 6, 2012Updated 13 years ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆21Dec 5, 2021Updated 4 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Tutorial material for hands-on sessions (work in progress)☆28Jun 12, 2021Updated 5 years ago
- A package for Modelica simulating Molten Salt Reactors☆20Aug 6, 2016Updated 9 years ago
- Convert XYZ data to bond lengths & angles, calculate contacts, planes and dihedral angles and print tables☆37May 17, 2026Updated last month
- Basically all ingredients for building HPC style clusters are here.☆17Sep 23, 2020Updated 5 years ago
- ☆14Sep 14, 2025Updated 9 months ago
- Semi-empirical tight-binding computation of the electronic structure of semiconductors☆13Dec 31, 2025Updated 5 months ago
- ☆12Mar 11, 2026Updated 3 months ago