If an element (e.g.Cu) is both in the list of elements in the metada and in the "ignored_elements" in build_G , then it will be present 2 times, one time as standard G contribution with all gaussians in one contribution + one time as split lines
There should be at least a warning or, "ignored" elements should overrun the non ignored one
If an element (e.g.Cu) is both in the list of elements in the metada and in the "ignored_elements" in build_G , then it will be present 2 times, one time as standard G contribution with all gaussians in one contribution + one time as split lines
There should be at least a warning or, "ignored" elements should overrun the non ignored one