deepmd.tf2.utils._dpmodel

Functions

build_neighbor_list(→ deepmd.tf2.env.Array)
extend_coord_with_ghosts(→ tuple[deepmd.tf2.env.Array, ...)
format_nlist(→ deepmd.tf2.env.Array)
inter2phys(→ deepmd.tf2.env.Array)
normalize_coord(→ deepmd.tf2.env.Array)
to_face_distance(→ deepmd.tf2.env.Array)

Module Contents

deepmd.tf2.utils._dpmodel.build_neighbor_list(coord: Any, atype: Any, nloc: int, rcut: float, sel: int | list[int], distinguish_types: bool = True) → deepmd.tf2.env.Array

deepmd.tf2.utils._dpmodel.extend_coord_with_ghosts(coord: Any, atype: Any, cell: Any | None, rcut: float) → tuple[deepmd.tf2.env.Array, deepmd.tf2.env.Array, deepmd.tf2.env.Array]

deepmd.tf2.utils._dpmodel.format_nlist(extended_coord: Any, nlist: Any, nsel: int, rcut: float) → deepmd.tf2.env.Array

deepmd.tf2.utils._dpmodel.inter2phys(coord: Any, cell: Any) → deepmd.tf2.env.Array

deepmd.tf2.utils._dpmodel.normalize_coord(coord: Any, cell: Any) → deepmd.tf2.env.Array

deepmd.tf2.utils._dpmodel.to_face_distance(cell: Any) → deepmd.tf2.env.Array