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@ElectronicStructureLibrary Electronic Structure Library

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    16 repositories

    • libetsf_io

      Public
      Library to read and write in conformance with the ETSF file format
      Fortran
      •
      GNU Lesser General Public License v2.1
      •3•0•0•0•Updated Jun 19, 2025Jun 19, 2025

    • flook

      Public
      Linking fortran and lua together
      luafortranlua-environment
      luafortranlua-environment
      Fortran
      •
      Mozilla Public License 2.0
      •6•11•4•0•Updated Jun 11, 2024Jun 11, 2024

    • esl-bundle

      Public
      The Electronic Structure Library Bundle. Please note that this is a mirror of https://gitlab.com/ElectronicStructureLibrary/esl-bundle.
      Python
      •
      Other
      •6•9•0•0•Updated Feb 25, 2023Feb 25, 2023

    • libxc

      Public
      Library of exchange-correlation functionals for density-functional theory. Please note that this is a mirror of https://gitlab.com/libxc/libxc.
      C
      •
      Mozilla Public License 2.0
      •12•58•0•0•Updated Feb 10, 2023Feb 10, 2023

    • elsi-interface

      Public
      ELSI: A software interface designed for electronic structure codes to connect with ELPA, libOMM, PEXSI, SLEPc-SIPs, NTPoly, and other solver libraries. Please n…
      Fortran
      •
      BSD 3-Clause "New" or "Revised" License
      •2•9•0•0•Updated Jul 22, 2022Jul 22, 2022

    • easybuild-easyconfigs

      Public
      A collection of easyconfig files that describe which software to build using which build options with EasyBuild.
      Python
      •
      GNU General Public License v2.0
      •781•0•0•0•Updated Jul 13, 2022Jul 13, 2022

    • easybuild-easyblocks

      Public
      Collection of easyblocks that implement support for building and installing software with EasyBuild.
      Python
      •
      GNU General Public License v2.0
      •312•0•0•0•Updated Jan 6, 2022Jan 6, 2022

    • omm-bundle

      Public
      Library implementing the orbital minimization method for solving the Kohn-Sham equation as a generalized eigenvalue problem. Please note that this is a mirror …
      Fortran
      •2•0•0•0•Updated Jul 13, 2020Jul 13, 2020

    • esl-easyconfigs

      Public
      Collection of easyconfig files for the ESL. Please note that this is a mirror of https://gitlab.com/ElectronicStructureLibrary/esl-easyconfigs.
      Shell
      •1•0•0•0•Updated Mar 17, 2020Mar 17, 2020

    • escdf-specifications

      Public
      Electronic Structure Common Data Format Specifications. Please note that this is a mirror of https://gitlab.com/ElectronicStructureLibrary/escdf/escdf-specifica…
      Python
      •1•0•0•0•Updated Sep 12, 2019Sep 12, 2019

    • libescdf

      Public
      Electronic Structure Common Data Format Library. Please note that this is a mirror of https://gitlab.com/ElectronicStructureLibrary/escdf/libescdf.
      C
      •
      GNU Lesser General Public License v2.1
      •3•2•5•0•Updated Sep 12, 2019Sep 12, 2019

    • libpspio

      Public
      Library to perform I/O operations on pseudopotential data files. Please note that this is a mirror of https://gitlab.com/ElectronicStructureLibrary/libpspio.
      C
      •
      Mozilla Public License 2.0
      •2•2•0•0•Updated Sep 11, 2019Sep 11, 2019

    • esl-demo

      Public
      Electronic Structure Library Demonstrator showing how to build a basic plane-wave/LCAO code from ESL components. Please note that this is a mirror of https://gi…
      Fortran
      •
      GNU Lesser General Public License v2.1
      •1•0•0•0•Updated Sep 6, 2019Sep 6, 2019

    • libescdf-fortran

      Public
      Fortran interfaces for the ESCDF library. Please note that this is a mirror of https://gitlab.com/ElectronicStructureLibrary/escdf/libescdf-fortran.
      M4
      •
      GNU Lesser General Public License v3.0
      •1•0•0•0•Updated Feb 22, 2018Feb 22, 2018

    • MonteCarloLib

      Public
      C library to calculate classical Monte Carlo
      C
      •
      MIT License
      •1•0•0•0•Updated Jun 6, 2015Jun 6, 2015

    • libcif

      Public archive
      A simple library for parsing CIF files for electronic structure codes
      Objective-C
      •
      BSD 3-Clause "New" or "Revised" License
      •2•3•1•0•Updated Jun 5, 2015Jun 5, 2015