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OEP Slater fast

Nicolas Tancogne-Dejean requested to merge slater into develop

Description

This commits adds a new implementation of the Slater approximation to the OEP equations, for both collinear and non-collinear spins. This is faster than the previous implementation, which is kept for the moment.

This commit also fixes a bug of accessing the vxc array when the optional argument was not passed.

The Slater approximation is now a stand-alone functional, and not an approximation of the OEP equation, as this is only meaningful for EXX. This is triggered by XCFunctional = slater_x.

News snippet

A new, faster, implementation of the Slater approximation to the OEP equations, for both collinear and non-collinear spins.

Checklist

  • I have checked that my code follows the Octopus coding standards
  • I have added tests for all the new features added in this request.
Edited by Martin Lueders

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