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Projects in Awesome Lists tagged with siesta

A curated list of projects in awesome lists tagged with siesta .

https://github.com/zerothi/sisl

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

bigdft condensed-matter density-functional-theory dft geometry graphene gulp negf physics siesta solid-state solid-state-physics tbtrans tight-binding transiesta vasp wannier90

Last synced: 11 Nov 2024

https://github.com/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

band-structure denchar densityofstates fdf psml relaxation siesta wavefunction

Last synced: 28 Nov 2024

https://github.com/initqp/somd

Molecular dynamics package designed for the SIESTA DFT code.

aimd molecular-dynamics neuroevolution-potential siesta

Last synced: 13 Nov 2024

https://github.com/chanhi2000/pizzahunter

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

rest-api rest-client restful-api siesta swift-4 swift-library swift4 xcode xcode9

Last synced: 02 Dec 2024