From 0fa72ef55e7941b9a055fe3a5575ff33f534e806 Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Thu, 31 Oct 2024 20:36:47 +0000 Subject: [PATCH] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- deepmd/jax/utils/serialization.py | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/deepmd/jax/utils/serialization.py b/deepmd/jax/utils/serialization.py index 102b588a9e..ec2de3060e 100644 --- a/deepmd/jax/utils/serialization.py +++ b/deepmd/jax/utils/serialization.py @@ -68,7 +68,9 @@ def call_lower_with_fixed_do_atomic_virial( ) return jax_export.export(jax.jit(call_lower_with_fixed_do_atomic_virial))( - jax.ShapeDtypeStruct((nf, nloc + nghost, 3), jnp.float64), # extended_coord + jax.ShapeDtypeStruct( + (nf, nloc + nghost, 3), jnp.float64 + ), # extended_coord jax.ShapeDtypeStruct((nf, nloc + nghost), jnp.int32), # extended_atype jax.ShapeDtypeStruct((nf, nloc, model.get_nnei()), jnp.int64), # nlist jax.ShapeDtypeStruct((nf, nloc + nghost), jnp.int64), # mapping