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TREX-CoE / trexio

TREX I/O library
https://trex-coe.github.io/trexio/
BSD 3-Clause "New" or "Revised" License
49 stars 14 forks source link

Added CSF group #97

Closed scemama closed 2 years ago

scemama commented 2 years ago

With that, do we have enough info to store the CSF map?

q-posev commented 2 years ago

Are you sure that csf_det_coefficient should be float sparse? I would expect it to require some special processing just like for the CI determinants.

scemama commented 2 years ago

I did not find a convenient way to store the CSFs with bit fields. The simplest way I found is to store all the determinants, and to store the transformation matrix from CSF to determinants in sparse format.