off-by-one error in temperature ramps during SequentialLearning

molmod / psiflow

scalable molecular simulation

https://molmod.github.io/psiflow/

MIT License

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off-by-one error in temperature ramps during SequentialLearning #7

Closed svandenhaute closed 1 year ago

svandenhaute commented 1 year ago

When using the temperature ramp functionality, the temperature update of the walkers should happen before sampling/evaluation/training but is not executed at the end of an iteration. This causes walkers to not sample at the final temperature.

svandenhaute commented 1 year ago

Fixed