From 6e30b51753022b20c1e1cfcfa78e3cbe49296108 Mon Sep 17 00:00:00 2001 From: Jinzhe Zeng Date: Wed, 19 Jul 2023 14:44:32 -0400 Subject: [PATCH] change the default value of `rcond` from `1e-3` to `None` See also https://github.com/deepmodeling/deepmd-kit/pull/2688 --- deepmd_pt/utils/stat.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/deepmd_pt/utils/stat.py b/deepmd_pt/utils/stat.py index b183bb55..3b0af52c 100644 --- a/deepmd_pt/utils/stat.py +++ b/deepmd_pt/utils/stat.py @@ -83,7 +83,7 @@ def make_stat_input(datasets, dataloaders, nbatches): return lst -def compute_output_stats(energy, natoms, rcond=1e-3): +def compute_output_stats(energy, natoms, rcond=None): """Update mean and stddev for descriptor elements. Args: