2 Commits

Author	SHA1	Message	Date
Alyn James	d4b43ff9f8	spectral routines update	2023-04-14 23:43:23 +01:00
AlynJ	ce4aed3551	elk-interface bug fixes (#228) ... updated the Elk interface to fix some minor bugs which arose for certain systems with equivalent atoms. I've also included new tests for this interface and collated all of these interface tests in the "test/python/elk" subdirectory.	2022-11-10 11:11:28 -05:00