quemb.kbe.autofrag

Functions

add_check_k(min1, flist, sts, ksts, nk_)
autogen(mol, kpt[, frozen_core, be_type, ...])	Automatic cell partitioning
be_reduce(be_type[, N])
kfrag_func(site_list, numk, nk1, uNs, Ns[, nk2])
nearestof2coord(coord1, coord2[, bond])
sidefunc(cell, Idx, unit1, unit2, main_list, ...)
surround(cell, sidx, unit1, unit2, flist, ...)
warn_large_fragment()