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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.

Potential Energy Surface Library

This repository is home to the modules that are generated by the Meso and Multi-scale Modelling work package (including from ESDWs, post-docs and other sources).

This repository is home to the modules that are generated by the Meso and Multi-scale Modelling work package (including from ESDWs, post-docs and other sources).

This repository is home to the modules that are generated by the Meso and Multi-scale Modelling work package (including from ESDWs, post-docs and other sources).

This repository is home to the modules that are generated by the Meso and Multi-scale Modelling work package (including from ESDWs, post-docs and other sources).

This repository is home to the modules that are generated by the Meso and Multi-scale Modelling work package (including from ESDWs, post-docs and other sources).

This repository is home to the modules that are generated by the Meso and Multi-scale Modelling work package (including from ESDWs, post-docs and other sources).

This repository is home to the modules that are generated by the Meso and Multi-scale Modelling work package (including from ESDWs, post-docs and other sources).