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Running tasks #15

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1 of 4 tasks

slochower opened this issue Jun 16, 2017 · 1 comment

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slochower commented Jun 16, 2017 •

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Asses the status of optimization with COBYLA
- Parameters, reproducibility, convergence, ...
Investigate barrier crossing / buildup (send notebook)
Optimize for maximum torque
Paper tweaks and finalization

Owner Author

slochower commented Jun 18, 2017

Thoughts on FF optimization using CD and a few atom types on a simple host... Needs to be fleshed out further.

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