added distance

class-solution
Daniel Pozsar 2 months ago
parent 3678284659
commit b3b3f86512

@ -332,7 +332,7 @@ def print_atoms_and_pairs(magnetic_entities, pairs):
for pair in pairs: for pair in pairs:
# print pair parameters # print pair parameters
print( 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 magnetic parameters
print("Isotropic: ", pair["J_iso"]) print("Isotropic: ", pair["J_iso"])

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