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siesta

Here are 37 public repositories matching this topic...

Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations

  • Updated Aug 28, 2026
  • Python

a python package for computing magnetic interaction parameters

  • Updated Aug 27, 2026
  • Python

Python package for eigenchannels, vibrations and inelastic electron transport based on SIESTA/TranSIESTA DFT

  • Updated Jul 29, 2024
  • Python

Implementation of a machine learned density functional

  • Updated Jun 17, 2024
  • Python

FDF files for relaxation, PDOS and Denchar calculations in SIESTA 4.0.2 version as well as 4.1v and PSML supported version

  • Updated Nov 13, 2024
  • Lua

Molecular dynamics package designed for the SIESTA DFT code.

  • Updated Nov 10, 2025
  • Python

A family tree API server implementation with iOS client. Server has been implemented with Perfect: Server-Side Swift And iOS client is in pure Swift.

  • Updated May 16, 2017

Automated DFT Input File Generator using wxDragon

  • Updated Sep 21, 2023
  • Rez

Interfaces for atomistic simulation codes and workflows

  • Updated Aug 25, 2026
  • Jupyter Notebook

Tutorials for the SOMD code.

  • Updated Jul 27, 2023
  • Python

Interfacing SIESTA to Lua scripts using the flook code

  • Updated Dec 7, 2022
  • Lua

Simple Python Ipywidgets Interface to obtain the optoelectronic properties of Nanostructures

  • Updated Dec 24, 2022
  • Jupyter Notebook

Use the latest stable release of Siesta and github action perform to small DFT calculations.

  • Updated Jun 27, 2021

Convert SIESTA PAO wavefunctions to BerkeleyGW plane-wave coefficients and WFN HDF5

  • Updated Apr 13, 2026
  • Python

Siesta, transiesta, tbtrans.. even DFTB+, all without touching the terminal. It is mostly (only?) used by me to manage my SIESTA and DFTB calculations.

  • Updated Jul 29, 2026
  • Python

Python bindings for "Siesta as a subroutine" DFT

  • Updated Jun 9, 2026
  • Python

Simple iOS reader for New York Times.

  • Updated Oct 9, 2017
  • Swift

Rey Wenderlich's iOS application tutorial for implementing RESTful Client w/ Siesta

  • Updated May 30, 2018
  • Swift

Dalibor Drozda- Ferrilata siesta

  • Updated Jun 6, 2019
  • Java

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