improve type signatures to allow auto-conversion of cell vectors and PBC
The last point is the main change: introduced AUTOBOX and AUTOCELL union types, added those to various function type signatures. These unions describe which input types for cell vectors / bounding box and pbcs can be converted into the required format via _auto_cell_vectors and _auto_pbc (cf. cell.jl). E.g. internally the cell vectors are always stured as NTuple{D, SVector{D, T}} but it can be more convenient to construct them as
The last point is the main change: introduced
AUTOBOX
andAUTOCELL
union types, added those to various function type signatures. These unions describe which input types for cell vectors / bounding box and pbcs can be converted into the required format via_auto_cell_vectors
and_auto_pbc
(cf.cell.jl
). E.g. internally the cell vectors are always stured asNTuple{D, SVector{D, T}}
but it can be more convenient to construct them asand
_auto_cell_vectors
will then convert.