6 Commits

Author	SHA1	Message	Date
Alyn James	4b0e539395	fixed test	2023-04-17 11:05:27 +01:00
Alyn James	ac70d962fa	removed copies	2023-04-15 18:35:01 +01:00
Alyn James	45696baf9a	spectral routines plotpt3d update	2023-04-15 18:30:37 +01:00
Alyn James	d4b43ff9f8	spectral routines update	2023-04-14 23:43:23 +01:00
AlynJ	c202286341	Elk Transport code and subsequent updates (#229) ... * elk-transport * minor updates * specify explicitly fortran compiler and python exe in CMAKE Co-authored-by: Alexander Hampel <ahampel@flatironinstitute.org>	2023-01-04 17:16:57 -05:00
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