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Published 20 hours ago • verified publisher icon electronic-structure

[fix] Fixed bug in direct XML parsing of UPF v2 PPs

Open abussy opened this issue 8 months ago • 1 comments

Fixed bug when parsing UPF files without NLCC. When there is no core correction, the default json behavior is to allocate an array for it filled with zeros. So far, the pugixml parser gave a size zero vector, leading to a crash. This PR fixes it.

abussy avatar Jun 17 '24 09:06 abussy