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
..
elktools	elk-interface bug fixes (#228)	2022-11-10 11:11:28 -05:00
plovasp	fix outstanding issues and formatting	2022-10-05 16:29:01 -04:00
__init__.py	update documentation to use autosummary	2022-03-02 14:13:12 -05:00
converter_tools.py	update documentation to use autosummary	2022-03-02 14:13:12 -05:00
elk.py	elk-interface bug fixes (#228)	2022-11-10 11:11:28 -05:00
hk.py	update documentation to use autosummary	2022-03-02 14:13:12 -05:00
vasp.py	Non-collinear projectors VASP.6.	2022-10-05 16:29:01 -04:00
wannier90.py	Fix for wannier converter: reordering of orbital/spin order only necessary for vasp 5	2022-10-19 11:28:33 +02:00
wien2k.py	transport kmesh check	2022-10-10 15:41:51 -04:00