Skip to content

Fix read_espresso_in magmoms

Anubhab Haldar requested to merge Chronum94/ase:fix-espresso-in-magmoms into master

The reading of initial magnetic moments for the espresso-in format was wrong if there was more than one atom of a particular species with different moments (many antiferromagnets). This is more of a quick patch, but the actual espresso io needs an overhaul which I can work on in the near'ish future. But for now, this fixes a present problem.

Edited by Anubhab Haldar

Merge request reports