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Adds the functionality to output force and force gradient to the output in .h5 file, triggered using Lcheck=7 #223

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Merged
ErolBa merged 6 commits into from
Apr 4, 2025

Merge remote-tracking branch 'origin/remove_findFFTW' into force_output

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Adds the functionality to output force and force gradient to the output in .h5 file, triggered using Lcheck=7 #223

Merge remote-tracking branch 'origin/remove_findFFTW' into force_output
b103654
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