From 69d578b86153920107f5a296d432a1449b13c947 Mon Sep 17 00:00:00 2001 From: Jinzhe Zeng Date: Sun, 19 Jan 2025 23:44:56 +0800 Subject: [PATCH 1/2] chore: improve neighbor stat log Signed-off-by: Jinzhe Zeng --- deepmd/utils/neighbor_stat.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/deepmd/utils/neighbor_stat.py b/deepmd/utils/neighbor_stat.py index 40e629d9db..484a271957 100644 --- a/deepmd/utils/neighbor_stat.py +++ b/deepmd/utils/neighbor_stat.py @@ -81,8 +81,8 @@ def get_stat(self, data: DeepmdDataSystem) -> tuple[float, np.ndarray]: # do sqrt in the final min_nbor_dist = math.sqrt(min_nbor_dist) - log.info("training data with min nbor dist: " + str(min_nbor_dist)) - log.info("training data with max nbor size: " + str(max_nbor_size)) + log.info(f"Neighbor statistics: training data with minimal neighbor distance: {min_nbor_dist:f}") + log.info(f"Neighbor statistics: training data with maximum neighbor size: {str(max_nbor_size)} (cutoff radius: {self.rcut:f})") return min_nbor_dist, max_nbor_size @abstractmethod From 30b454d650e3f87457dedd80a522899e0b62dc46 Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Sun, 19 Jan 2025 15:46:40 +0000 Subject: [PATCH 2/2] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- deepmd/utils/neighbor_stat.py | 8 ++++++-- 1 file changed, 6 insertions(+), 2 deletions(-) diff --git a/deepmd/utils/neighbor_stat.py b/deepmd/utils/neighbor_stat.py index 484a271957..4c3d24edd8 100644 --- a/deepmd/utils/neighbor_stat.py +++ b/deepmd/utils/neighbor_stat.py @@ -81,8 +81,12 @@ def get_stat(self, data: DeepmdDataSystem) -> tuple[float, np.ndarray]: # do sqrt in the final min_nbor_dist = math.sqrt(min_nbor_dist) - log.info(f"Neighbor statistics: training data with minimal neighbor distance: {min_nbor_dist:f}") - log.info(f"Neighbor statistics: training data with maximum neighbor size: {str(max_nbor_size)} (cutoff radius: {self.rcut:f})") + log.info( + f"Neighbor statistics: training data with minimal neighbor distance: {min_nbor_dist:f}" + ) + log.info( + f"Neighbor statistics: training data with maximum neighbor size: {max_nbor_size!s} (cutoff radius: {self.rcut:f})" + ) return min_nbor_dist, max_nbor_size @abstractmethod