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Smeared occupation TDA#3829

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oschuett merged 1 commit intocp2k:masterfrom
annahehn:SO_TDA
Dec 28, 2024
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Smeared occupation TDA#3829
oschuett merged 1 commit intocp2k:masterfrom
annahehn:SO_TDA

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@annahehn
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@annahehn annahehn force-pushed the SO_TDA branch 5 times, most recently from 9137522 to 0626d84 Compare December 27, 2024 12:49
@oschuett
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Would it be possible to shorten the CH3_tddfpt_smeared_occ.inp test a bit more? It still took 33.14 sec on the first run and only stayed below slowness threshold in the re-run at the end.

@annahehn
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Dear Ole, thanks and please excuse, Anna

@oschuett oschuett merged commit 98d1ad6 into cp2k:master Dec 28, 2024
@oschuett
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Hi Anna, no worries. Writing good tests that are also fast is an art :-)

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2 participants