deepmd.jax.utils.exclude_mask

deepmd.jax.utils.exclude_mask#

Classes#

AtomExcludeMask

Computes the type exclusion mask for atoms.

PairExcludeMask

Computes the type exclusion mask for atom pairs.

Module Contents#

class deepmd.jax.utils.exclude_mask.AtomExcludeMask(ntypes: int, exclude_types: list[int] = [])[source]#

Bases: deepmd.dpmodel.utils.exclude_mask.AtomExcludeMask

Computes the type exclusion mask for atoms.

__setattr__(name: str, value: Any) → None[source]#
class deepmd.jax.utils.exclude_mask.PairExcludeMask(ntypes: int, exclude_types: list[tuple[int, int]] = [])[source]#

Bases: deepmd.dpmodel.utils.exclude_mask.PairExcludeMask

Computes the type exclusion mask for atom pairs.

__setattr__(name: str, value: Any) → None[source]#