Changes for lammps integration#367

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agoscinski wants to merge 29 commits intomasterfrom

feat/lammps_preparations

Commits on Aug 27, 2021

Commits on Sep 1, 2021

compute_sparse_kernel_gradients supports both storage types of partial gradients to ghost atoms or correspoinding within-cell atom by additional flag store_partial_gradients_in_ghosts
agoscinski
committed
imporve doc of get_atom_j
agoscinski
committed
add TODO
agoscinski
committed

Commits on Jun 14, 2022

Download wigxjpf from a github mirror instead of http://fy.chalmers.se/ (#412)

Luthaf
authored and
PicoCentauri
committed
add cpp information to rascal model json

agoscinski
authored and
PicoCentauri
committed