Changing occupancies from integer to double #243
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@lratcliff @msnik1999 Do we still need this PR? In case, can you rebase it and check if it passes the test after the rebase? |
stigrj
approved these changes
Sep 3, 2024
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Changing orbital occupancies from integer to double, so that we can do fractional occupancies e.g. for core hole calculations. @lratcliff