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Published 20 hours ago • verified publisher icon choderalab

Expanded ensemble

Open ajsilveira opened this issue 5 years ago • 5 comments

  • Include the option weight_update to perform expanded ensemble simulations
  • minimum_visits and beta_factor are defined by the user
  • set histogram as the default for flatness criteria

ajsilveira avatar May 10 '19 15:05 ajsilveira

Thank you! I think this is ready to be merged. Can you just update the releasehistory.rst in docs/ before?

andrrizzi avatar May 24 '19 20:05 andrrizzi

This would be an "enhancement" in 0.19.0 version ?

ajsilveira avatar May 29 '19 21:05 ajsilveira

Yes, that works.

andrrizzi avatar May 30 '19 10:05 andrrizzi

@andrrizzi the last modifications are not working: I do not know how to write validate_function in _StoreProperty for the dict criteria.

ajsilveira avatar May 30 '19 21:05 ajsilveira

That Travis error is very weird, but we've switched our building system to the Cookiecutter scheme and your fork got out of date so I'd try a sync.

andrrizzi avatar Jun 03 '19 08:06 andrrizzi