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crest-lab
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crest
CREST - A program for the automated exploration of low-energy molecular chemical space.
https://crest-lab.github.io/crest-docs/
GNU Lesser General Public License v3.0
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Special treatment of single-atom solutes in QCG
#159
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cplett
closed
1 year ago
cplett
commented
1 year ago
Signed-off-by: cplett
82893466+cplett@users.noreply.github.com
Signed-off-by: cplett 82893466+cplett@users.noreply.github.com