HORTON: H*elpful *O*pen-source *R*esearch *TO*ol for *N-fermion systems. Copyright (C) 2011-2016 The HORTON Development Team
A module from the HORTON project containing various SCF routines and also code for HF/DFT.
HORTON module for SCF and HF/DFT methods
License: GNU General Public License v3.0
It seems the Orbitals class is more popular than we had first anticipated. @FarnazH and @kumrud are both using it in downstream projects (or reproducing functionality from it) by itself.
It might make sense to split out the Orbitals class into its own package. I don't think it's going to be possible to isolate it from meanfield (@tovrstra and I discussed it in Gent), but maybe we can at least make it a separate package, which meanfield will depend upon. That way, people don't need to install libxc to get orbitals related functionality.
Thoughts @tovrstra?
The meanfield module has a hard dependency on horton.grid. We can't finish the CI testing without it. When the new qcgrids package is suitable, we should point to it.
The documentation wasn't carried over from the isolation. It's going to be quite difficult to generate it. We should look into generating the API reference documentation for each module, but generating one user/dev doc for the whole HORTON project.
The code is still in a python 2 state. Needs to be updated.
Meanfield has a hard dependency on the gbasis package. When we finish packaging gbasis, we should update meanfield to point to it.
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