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bowen-bd committed Mar 20, 2024
1 parent 340b9da commit 4a875e0
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions src/matgl/graph/compute.py
Original file line number Diff line number Diff line change
@@ -1,4 +1,4 @@
"""Computing various g based operations."""
"""Computing various graph based operations."""

from __future__ import annotations

Expand Down Expand Up @@ -227,7 +227,7 @@ def _create_directed_line_graph(graph: dgl.DGLGraph, threebody_cutoff: float) ->
threebody_cutoff: cutoff for three-body interactions
Returns:
l_g: DGL line graph of pruned graph to three body cutoff
line_graph: DGL line graph of pruned graph to three body cutoff
"""
with torch.no_grad():
pg = prune_edges_by_features(graph, feat_name="bond_dist", condition=lambda x: torch.gt(x, threebody_cutoff))
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