Qball

Qball (also known as qb@ll) is a first-principles molecular dynamics code that is used to compute the electronic structure of atoms, molecules, solids, and liquids within the Density Functional Theory (DFT) formalism. It is a fork of the Qbox code by Francois Gygi.

Categories > Science > Molecular Dynamics

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License

gpl-3.0

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Most Recent Commit

4 years ago

Programming Language

C++

Categories

Programming Languages > C Plus Plus

Programming Languages > Fortran

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Software Performance > Mpi

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Science > Molecular Dynamics

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