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Solvers for quantum atomic radial equations

Solvers for quantum atomic radial equations

Library to perform I/O operations on pseudopotential data files

Library to perform I/O operations on pseudopotential data files

Library to perform I/O operations on pseudopotential data files

Poke, salade de poisson, is a solver for the Poisson equation designed for electronic structure codes. It is currently under early stages of development. (Logo image by Foodista: https://www.flickr.com/photos/foodista/15302773489)

Parallel Iterative Kohn-Sham Solvers (PIKSS)

Library implementing the orbital minimization method for solving the Kohn-Sham equation as a generalized eigenvalue problem

Library implementing the orbital minimization method for solving the Kohn-Sham equation as a generalized eigenvalue problem

Library implementing the orbital minimization method for solving the Kohn-Sham equation as a generalized eigenvalue problem

Library implementing the orbital minimization method for solving the Kohn-Sham equation as a generalized eigenvalue problem

Library for the orbital minimization method (OMM) for solving the Kohn-Sham equation.

Library to perform I/O operations on pseudopotential data files. Please note that this is a mirror of https://gitlab.com/ElectronicStructureLibrary/libpspio.

Fortran interfaces for the ESCDF library. Please note that this is a mirror of https://gitlab.com/ElectronicStructureLibrary/escdf/libescdf-fortran.

Electronic Structure Common Data Format Library. Please note that this is a mirror of https://gitlab.com/ElectronicStructureLibrary/escdf/libescdf.

Electronic Structure Common Data Format Library

Electronic Structure Common Data Format Library