siesta
There are 34 repositories under siesta topic.
pierrehirel/atomsk
Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
zerothi/sisl
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
mailhexu/TB2J
a python package for computing magnetic interaction parameters
semodi/neuralxc
Implementation of a machine learned density functional
tfrederiksen/inelastica
Python package for eigenchannels, vibrations and inelastic electron transport based on SIESTA/TranSIESTA DFT
pritampanda15/Siesta
FDF files for relaxation, PDOS and Denchar calculations in SIESTA 4.0.2 version as well as 4.1v and PSML supported version
initqp/somd
Molecular dynamics package designed for the SIESTA DFT code.
partho-maple/Perfect-Server-Side-Swift_iOS-App
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.
pritampanda15/wxDragon
Automated DFT Input File Generator using wxDragon
initqp/somd_tutorials
Tutorials for the SOMD code.
pyiron/atomistics
Interfaces for atomistic simulation codes and workflows
JoseMVergara/SPIN
Simple Python Ipywidgets Interface to obtain the optoelectronic properties of Nanostructures
siesta-project/flos
Interfacing SIESTA to Lua scripts using the flook code
ShantanuDash/siesta-action
Use the latest stable release of Siesta and github action perform to small DFT calculations.
jonaslb/psiesta
Python bindings for "Siesta as a subroutine" DFT
AleksBL/siesta_python
Siesta, transiesta, tbtrans...... without touching the terminal
chanhi2000/PizzaHunter
Rey Wenderlich's iOS application tutorial for implementing RESTful Client w/ Siesta
mikebfox/readny
Simple iOS reader for New York Times.
green-fox-academy/LukasKrocek
Lukas Krocek
green-fox-academy/nhenikova
Natálie Heniková
green-fox-academy/olsanska
This is the repository of Jana Olsanska
raihanm90/SiesLab
MATLAB toolbox to read Siesta, a Density Functional Theory (DFT) calculation platform, generated files.
zqfaye/softwares
softwares and tools for computational materials science
danielpozsar/grogu
Python package calculating relativistic magnetic interactions for the generalised Heisenberg model.
eftalgezer/SIESTAstepper
SIESTAstepper runs SIESTA step by step, designed for constrained calculations.
green-fox-academy/alzbetasipkova
Alzbeta Sipkova's repository
green-fox-academy/DaliborDr
Dalibor Drozda- Ferrilata siesta
green-fox-academy/jansorna
This is repository of Jan Sorna for all workshop exercises (Ferrilata, Siesta, Prague)
green-fox-academy/martinsvatek
Personal repository of Martin Svátek - student of Green Fox Academy (Ferrilata)
green-fox-academy/ondrej-ivanko
Personal student repo of student Ondrej Ivanko of Ferrilata Siesta in Prague 2019/1
green-fox-academy/StandaK2
Stanislav Koumar, Ferrilata Siesta Prague
ModusCreateOrg/senchaTestStarterApp
An example application showing how to bootstrap functional tests with Sencha products
ShantanuDash/temp
Sample Repository showing how the Github-action [siesta-action](https://github.com/marketplace/actions/siesta-action) can be used.