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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

Parallel Iterative Kohn-Sham Solvers (PIKSS)

Additional examples from E-CAM modules that have been incorporated into OpenPathSampling.

Additional examples from E-CAM modules that have been incorporated into OpenPathSampling.

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. Please note that this is a mirror of https://gitlab.com/ElectronicStructureLibrary/omm-bundle.

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.

Collection of easyconfig files for the ESL. Please note that this is a mirror of https://gitlab.com/ElectronicStructureLibrary/esl-easyconfigs.

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.