From ce626936a2e6edd790651d5bb2388328815df226 Mon Sep 17 00:00:00 2001 From: Valerij Talagayev <82884038+talagayev@users.noreply.github.com> Date: Thu, 19 Dec 2024 02:33:16 +0100 Subject: [PATCH] Update diffusionmap.py move back ndarray_sum --- package/MDAnalysis/analysis/diffusionmap.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/package/MDAnalysis/analysis/diffusionmap.py b/package/MDAnalysis/analysis/diffusionmap.py index ca6f29541f..da23db7c0b 100644 --- a/package/MDAnalysis/analysis/diffusionmap.py +++ b/package/MDAnalysis/analysis/diffusionmap.py @@ -300,7 +300,7 @@ def _conclude(self): def _get_aggregator(self): return ResultsGroup( lookup={ - "dist_matrix": ResultsGroup.ndarray_vstack, + "dist_matrix": ResultsGroup.ndarray_sum, } )