Latte interface #5
Merged
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This is the initial pull request to merge the latter_interface branch into the main branch.
Key additions in this pull request include the integration of LATTE through SEDACS with the support of MPI and graph partition schemes.
Specifically, LATTE can now be called to compute:
Additionally, this update enables Born-Oppenheimer molecular dynamics simulations, with an option to turn on shadow MD (without a kernel).