Repositories list

• flook

  Public
  Linking fortran and lua together

  luafortranlua-environment

  Fortran

  •

  Mozilla Public License 2.0

  •6•10•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•7•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

  •11•40•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 note that this is a mirror of https://git.elsi-interchange.org/elsi-devel/elsi-interface.

  Fortran

  •

  BSD 3-Clause "New" or "Revised" License

  •2•8•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

  •706•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

  •283•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 of https://gitlab.com/ElectronicStructureLibrary/omm-bundle

  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-specifications.

  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://gitlab.com/ElectronicStructureLibrary/esl-demo.

  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

• libetsf_io

  Public
  Library to read and write in conformance with the ETSF file format

  Fortran

  •

  GNU Lesser General Public License v2.1

  •1•0•1•0•Updated Jan 27, 2016Jan 27, 2016

• 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