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dft_tools/test/SrVO3.h5
Priyanka Seth 518cbccd8c Write shell equivalency information directly into h5 at conversion
* changed shellmap and invshellmap to corr_to_inequiv and inequiv_to_corr
* update_archive now calculates and stores these quantities for old archives
2014-11-16 18:03:53 +01:00

522 KiB