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☆44Nov 21, 2025Updated 6 months ago
- ☆18Jan 27, 2020Updated 6 years ago
- Crystallographic files of common materials, elements, oxides, for visualization in Avogadro☆20Apr 1, 2026Updated last month
- Defining requirements formally and checking them when simulating☆15Feb 14, 2025Updated 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.
- WanTiBEXOS code repository☆17Apr 1, 2026Updated last month
- Syntax definitions for the Modelica language☆12Apr 12, 2021Updated 5 years ago
- Molecular dynamics package designed for the SIESTA DFT code.☆17Nov 10, 2025Updated 6 months ago
- A poor man's density functional theory program☆14May 18, 2026Updated last week
- 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.☆23Sep 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
- A free library for modeling systems described by 1D partial differential equations.☆17May 7, 2020Updated 6 years 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.
- ☆26Jul 8, 2023Updated 2 years ago
- ☆26Apr 13, 2026Updated last month
- ☆24Nov 10, 2020Updated 5 years ago
- Construct phonon tight-binding model and calculate its topological properties☆27Sep 15, 2019Updated 6 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☆14Jul 10, 2024Updated last year
- 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☆37Jun 17, 2024Updated last year
- 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.
- 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
- 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
- Tutorial material for hands-on sessions (work in progress)☆28Jun 12, 2021Updated 4 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 week
- ☆14Sep 14, 2025Updated 8 months ago
- Basically all ingredients for building HPC style clusters are here.☆17Sep 23, 2020Updated 5 years 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.
- Semi-empirical tight-binding computation of the electronic structure of semiconductors☆13Dec 31, 2025Updated 4 months ago
- ☆12Mar 11, 2026Updated 2 months ago
- Exploration of metropolis-hastings (local) and Uli Wolff (cluster) algorithms on the Ising Model☆32Apr 17, 2018Updated 8 years ago
- ☆24Mar 11, 2023Updated 3 years ago
- A program to automatically perform microkinetic modeling and generate microkinetic volcano plots for homogeneous catalysis reactions usin…☆15Apr 24, 2026Updated last month
- ☆13Apr 12, 2022Updated 4 years ago
- A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.☆37Dec 26, 2021Updated 4 years ago