Wishlist for xml modifying functions
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janssenhenning commented
Here some ideas for useful xml modifying functions beyond the ones available are collected.
- Creating a new kPointList tag from an array (or some general datastructure) of values (not an aiida node)
- Switching the used kPointset with some checks that the given point set is available and maybe compatible
- create a copy of a species with new name to be able to break symmetries (maybe not necessary for aiida but it could be useful for someone using these routines directly)
janssenhenning commented
The kpoint manipulation is now implemented. I think the copy of the species routine carries too many potential side-effects to be useful for now