Skip to content

Draft: Refactor basis generation

Ask Hjorth Larsen requested to merge refactor-basis-generation into master
  • Allow generating general (DZP etc.) basis sets for norm-conserving setups.
  • Allow new basis set generator to use confinement energy to choose cutoff radius.
  • Any other cleanup and improvement that comes logically following these things.

Closes: #351

Edited by Ask Hjorth Larsen

Merge request reports