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
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__init__.py	update documentation to use autosummary	2022-03-02 14:13:12 -05:00
elk_converter_tools.py	elk interface bug fixs	2021-12-15 12:57:57 +00:00
readElkfiles.py	elk-interface bug fixes (#228)	2022-11-10 11:11:28 -05:00