From 9d0ad7fae0bf426f032b6edd251581bd0f99f5b2 Mon Sep 17 00:00:00 2001 From: Duo <50307526+iProzd@users.noreply.github.com> Date: Thu, 9 May 2024 15:43:46 +0800 Subject: [PATCH] Update repformers.py --- deepmd/pt/model/descriptor/repformers.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/deepmd/pt/model/descriptor/repformers.py b/deepmd/pt/model/descriptor/repformers.py index b2df49c964..e352c6b40c 100644 --- a/deepmd/pt/model/descriptor/repformers.py +++ b/deepmd/pt/model/descriptor/repformers.py @@ -400,7 +400,7 @@ def forward( nframes, nloc, nnei = nlist.shape nall = extended_coord.view(nframes, -1).shape[1] // 3 atype = extended_atype[:, :nloc] - # nf x nloc x nnei + # nb x nloc x nnei exclude_mask = self.emask(nlist, extended_atype) nlist = nlist * exclude_mask # nb x nloc x nnei x 4, nb x nloc x nnei x 3, nb x nloc x nnei x 1