Closed wanghan-iapcm closed 1 year ago
@wanghan-iapcm It seems that the tests hang
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@njzjz ready for review
This PR refactor the configuration selection of dpgen2. Some key changes are
TrajRender
to render the trajectory and model deviation of exploration output.ExplorationReportTrustLevels
provides the rules of configuration selection. ItExplorationReportTrustLevels
does not depend on the format of trajectory and model deviationConfSelectorLammpsFrames
->ConfSelectorFrames
uses render and report to select configurations from trajectories. Its implementation also does not depend on the format of trajectory and model deviation.