new main routine added, far from finishing yet
adapted chempot_fit.py
functions to transform H into emb basis
embedding interface adapted, function to calculate embedding interacting terms done
forgot to add inputs.py
finished embedding solver
Merge branch 'BBQ' of https://github.com/zhengbx/dmet_bcs into BBQ
now work on fitting potential interface
seems emb calculation module working
bugs and nicer structure
bugs in MPS solver
main function finished up
forgot diis file
archieve output
delete odd files
input wrapper finished
direct run
resolve conflict