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matta-research-group
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QCflow
Workflow tools for high-throughput QC calculations
https://matta-research-group.github.io/QCflow/
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updating the dictionaries
#27
Closed
HongdingZhang16
closed
1 year ago
HongdingZhang16
commented
1 year ago
Some naming convention for organic electronic fragments in all_frag weren't consistent with the torsional frag, and now its fixed with and it doesnt affect the current work.
uploading a dictionary containing all the possible dimers.