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| objective value (X2) |
|---|---|
initial guess | 29,469 |
v1.1.0 | 20,097 |
v1.2.0-preliminary (link: http://doi.org/10.5281/zenodo.3781313 ) | 16,939 |
v1.2.0-RC1 | 16,713 |
v1.2.0-RC2 | ?running now |
(2) QM vs MM optimized geometries
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