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Finite temperature calculation #75

Merged
merged 33 commits into from
Aug 1, 2023
Merged

Finite temperature calculation #75

merged 33 commits into from
Aug 1, 2023

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yomichi
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@yomichi yomichi commented Aug 1, 2023

Finite temperature calculation by representing density matrices with iTPO.

parameter.general.mode = "finite temperature"

Output files have the prefix FT_ like FT_density.dat

@yomichi yomichi merged commit 206bb0f into develop Aug 1, 2023
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@yomichi yomichi deleted the ft_dev branch October 24, 2023 06:58
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2 participants