theochem
Array transformation become a free function
FIxes #54
As suggested by PhD @msricher :
These functions, which do not use self or reference the parent object, should probably be free functions in utils, and then added to init.py
I just move to_parse function to utils.py and then define it on __init__.py so it can be access through the package name moha
Hi @Bakugo90! Great job! It seems like some of the style-related tests need to be fixed.
@Bakugo90 great job! I'd change one more thing: it seems like we need to exclude docs and example folders from the precommit.
we need to exclude docs and example folders from the precommit.
Done ! @RichRick1
Hello mentors @RichRick1 , @PaulWAyers
As we prepare to expand the existing package by introducing new occupation-and-spin based hamiltonian, have we compiled a list of the specific Hamiltonians to be included during this Gsoc ?
I'm currently working on outlining a timeline for implementation, and having clarity on which Hamiltonians to include and their exact quantity would greatly assist me in managing my time effectively.
@Bakugo90 Because there are implemented the most general spin-based XXZ Heisenberg hamiltonian and the most general occupation-based Pariser-Parr-Pople hamiltonian, the general spin-based and occupation-based hamiltonian should just inherit both classes. However, it would be nice to narrow it down to t-J-U-V and t-J model.
