From b3b3f8651233c66e1f4baf5b5b98fbb664f75807 Mon Sep 17 00:00:00 2001 From: Daniel Pozsar Date: Wed, 6 Nov 2024 16:26:39 +0100 Subject: [PATCH] added distance --- src/grogu_magn/useful.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/grogu_magn/useful.py b/src/grogu_magn/useful.py index ac596b4..6f54c8f 100644 --- a/src/grogu_magn/useful.py +++ b/src/grogu_magn/useful.py @@ -332,7 +332,7 @@ def print_atoms_and_pairs(magnetic_entities, pairs): for pair in pairs: # print pair parameters print( - f"{pair['tags'][0]} {pair['tags'][1]} {pair['Ruc']} d [Ang] Not yet." + f"{pair['tags'][0]} {pair['tags'][1]} {pair['Ruc']} d [Ang] {pair['dist']}" ) # print magnetic parameters print("Isotropic: ", pair["J_iso"])