theochem / horton

HORTON: Helpful Open-source Research TOol for N-fermion systems
http://theochem.github.io/horton/
GNU General Public License v3.0
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Meanfield module refactoring #241

Open matt-chan opened 7 years ago

matt-chan commented 7 years ago

The meanfield module should be slightly refactored to make picking and choosing easier.

The SCF and abstract Hamiltonian should not have any references to HORTON datatypes. The HF and DFT hamiltonians should be separated into their own files, and can make reference to HORTON datatypes such as gbasis or grid. That way, an external user can choose to take the meanfield module alone and delete the HF and DFT modules if they want to break the dependencies on HORTON.

tovrstra commented 7 years ago

This is more-or-less already done. The only thing that needs to be changed is to remove the imports from horton.meanfield.__init__.py.