Struct for a Libxc functional and some basic information

Functional(identifier::Symbol; n_spin::Integer = 1)

Construct a Functional from a libxc identifier and the number of spins n_spin to consider. `

Return the list of available libxc functionals as strings

Evaluate a functional and store results in passed arrays. If for a particular quantity no array is passed, it is not computed. Required input arguments depend on the functional type (rho for all functionals, sigma for GGA and mGGA, tau and lapl for mGGA).

Evaluate a functional obtaining the energy and / or certain derivatives of it. What is returned depends on derivatives, which should be a range of derivative orders, e.g. 0:1 (the default) for the energy and potential, 0:0 for just the energy and so on. The required input arguments depend on the functional type (rho for all functionals, sigma for GGA and mGGA, tau and lapl for mGGA). Obtained data is returned as a named tuple.

Get the version of the libxc library as a version string