MD with unoccupied states #239
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oseikuffuor1
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May 29, 2024
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oseikuffuor1
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Thanks Jean-Luc. Does this essentially allow use of unoccupied states for ABPG and NLCG algorithms?
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It should, but I tested it only for PSD (ABPG without extrapolation) + MVP so far. |
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