libxc mGGA functionals are silently skipped - Githubissues

electronic-structure / SIRIUS

Domain specific library for electronic structure calculations

BSD 3-Clause "New" or "Revised" License

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libxc mGGA functionals are silently skipped #914

Open simonpintarelli opened 8 months ago

simonpintarelli commented 8 months ago

TODO: throw an error if an unsupported functional is encountered