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Module descriptor_repflows

Module descriptor_repflows 

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Repflows descriptor block — DPA-3’s message-passing stack.

Translated from deepmd/dpmodel/descriptor/repflows.py.

DPA-3 evolves four feature channels through nlayers RepFlowLayers:

  • node_ebd ∈ ℝ^{nf, nloc, n_dim} — per-atom invariant
  • edge_ebd ∈ ℝ^{nf, nloc, nnei, e_dim} — per-pair invariant
  • h2 ∈ ℝ^{nf, nloc, nnei, 3} — per-pair equivariant
  • angle_ebd ∈ ℝ^{nf, nloc, a_sel, a_sel, a_dim} — three-body

§Parity scope

Mainstream config only: smooth=true, update_style="res_avg", use_dynamic_sel=false (static-shape graph), edge_init_use_dist=false.

Structs§

RepflowsConfig
RepflowsInputs
RepflowsOutputs

Functions§

build_repflows