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    24 repositories

    • psml-docs

      Public
      Documentation for PSML file format and associated library
      HTML
      •0•0•0•0•Updated May 27, 2024May 27, 2024

    • web-portal

      Public archive
      Github pages web portal
      HTML
      •3•4•4•0•Updated Jan 30, 2024Jan 30, 2024

    • siesta-feedstock

      Public
      NOTE: please visit the conda-forge repo, this is a placeholder
      Shell
      •
      BSD 3-Clause "New" or "Revised" License
      •9•0•0•0•Updated Sep 11, 2023Sep 11, 2023

    • fdf-docs

      Public
      Documentation for libfdf
      HTML
      •0•0•0•0•Updated Jul 6, 2023Jul 6, 2023

    • flos

      Public
      Interfacing SIESTA to Lua scripts using the flook code
      lua-librarygeometryoptimizationlua-scriptdensity-functional-theoryrelaxationconjugate-gradientsiestacell-vectorslbfgs-algorithm
      Lua
      •
      MIT License
      •4•6•4•1•Updated Dec 7, 2022Dec 7, 2022

    • gridxc-docs

      Public
      Documentation for libGridXC
      HTML
      •0•0•0•0•Updated Nov 16, 2022Nov 16, 2022

    • aiida_siesta_plugin

      Public
      Source code for the AiiDA-Siesta package (plugin and workflows). See wiki
      Python
      •
      Other
      •11•6•14•0•Updated Oct 30, 2022Oct 30, 2022

    • aiida-siesta-barrier

      Public
      Python
      •
      MIT License
      •0•1•0•0•Updated Oct 25, 2022Oct 25, 2022

    • quantum-mobile

      Public
      A Virtual Machine for computational materials science
      Jinja
      •
      Other
      •32•0•0•0•Updated Mar 22, 2022Mar 22, 2022

    • siesta-vim

      Public
      vim syntax highlighting scheme for siesta
      Vim Script
      •2•3•1•0•Updated Dec 10, 2021Dec 10, 2021

    • ansible-role-aiida

      Public
      An ansible role that installs and configures AiiDA on Ubuntu.
      Python
      •
      Other
      •5•0•0•0•Updated Sep 26, 2021Sep 26, 2021

    • spack

      Public
      A flexible package manager that supports multiple versions, configurations, platforms, and compilers.
      Python
      •
      Other
      •2.3k•0•0•0•Updated Aug 5, 2021Aug 5, 2021

    • ansible-role-conda-codes

      Public
      A role to install computational codes from Conda
      Other
      •1•0•0•0•Updated Jun 22, 2021Jun 22, 2021

    • ansible-role-siesta

      Public
      Ansible role for installing the siesta code
      Makefile
      •
      Other
      •3•0•0•0•Updated Jun 21, 2021Jun 21, 2021

    • siesta-vm

      Public
      Code (vagrant+ansible) to generate a virtual machine with Siesta
      0•0•0•0•Updated Jun 18, 2021Jun 18, 2021

    • tutorials

      Public
      Tutorial material for hands-on sessions (work in progress)
      Python
      •15•24•2•0•Updated Jun 12, 2021Jun 12, 2021

    • aiida-pseudo

      Public
      Python
      •
      MIT License
      •10•0•0•0•Updated Dec 5, 2020Dec 5, 2020

    • buds

      Public
      Reference counted fortran data structures
      fortransparse-matrixmpi-libraryreference-counting
      Fortran
      •
      MIT License
      •1•7•5•0•Updated Nov 13, 2020Nov 13, 2020

    • aiida-registry

      Public
      Find plugins for AiiDA
      Python
      •66•0•0•0•Updated Oct 16, 2018Oct 16, 2018

    • dev-portal

      Public
      Repository for experimenting new content for web-portal
      HTML
      •0•0•0•0•Updated Nov 22, 2017Nov 22, 2017

    • bsc2017

      Public
      Material for BSC tutorial May 2017
      HTML
      •0•0•0•0•Updated May 26, 2017May 26, 2017

    • siesta-aiida-4.0

      Public
      For aiida-integration tests
      Fortran
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Mar 22, 2017Mar 22, 2017

    • bud-linala

      Public
      Linear algebra library using the buds template library (interfaces other LA libraries)
      Fortran
      •
      MIT License
      •0•3•0•0•Updated Jan 5, 2017Jan 5, 2017

    • bzr2git

      Public
      Documentation and utilities for converting bzr to git
      Groff
      •0•0•0•0•Updated Feb 11, 2016Feb 11, 2016