Refactorize the implementation of the neighbor list building.#391

Merged

amcadmus merged 7 commits intodeepmodeling:apifrom

Mar 4, 2021

Commits on Mar 2, 2021

print message to std:cerr and return rather than assertion.
Han Wang
committed

Commits on Mar 3, 2021

change name of format_nlist to format_nlist_i, because the function only deals with one of the atoms
Han Wang
committed
clean up the cpu interface of env_mat and fmt_nlist.
Han Wang
committed
c++ style interface for format_nlist. independent impl. of Region and UT.
Han Wang
committed

Commits on Mar 4, 2021

implment coord and neighbor_list, add unittests
Han Wang
committed
change python test OS to ubuntu-18.04
Han Wang
committed
add missing header file
Han Wang
committed