Explore projects
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siesta-project / siesta
GNU General Public License v3.0 onlyA first-principles materials simulation code using DFT. Homepage: https://siesta-project.org/siesta
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Pavanello Research Group / DFTpy
MIT LicenseDFTpy is an orbital-free Density Functional Theory code based on a plane-wave expansion of the electron density. It is developed by PRG at @Rutgers_Newark.
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Bonan Zhu / aiida-castep
MIT LicenseA plugin to interface CASTEP with AiiDA (Automated Interactive Infrastructure and Database for Computational Science).
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