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Fix: LR scheduler stepped twice per epoch.MatglLightningModuleMixin.on_train_epoch_end manually called scheduler.step() on top of Lightning's automatic epoch-interval step, so schedules ran at twice the intended
rate (e.g. CosineAnnealingLR reached eta_min after decay_steps / 2 epochs and then rose again). The manual
step is removed and decay_steps now means what it says. Behavior change: to reproduce runs trained with
earlier versions, halve decay_steps (or the equivalent parameter of a custom scheduler). (#848)